data_nef_c30565_6nu4 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6NU4 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 21 CYS SG 1 29 CYS SG 1 41 CYS SG 1 47 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLU start . . 2 A 2 ALA middle . . 3 A 3 SER middle . . 4 A 4 VAL middle . . 5 A 5 ARG middle . . 6 A 6 TYR middle . . 7 A 7 ILE middle . . 8 A 8 THR middle . . 9 A 9 TYR middle . . 10 A 10 PRO middle . false 11 A 11 ALA middle . . 12 A 12 ILE middle . . 13 A 13 ASP middle . . 14 A 14 ARG middle . . 15 A 15 GLY middle . false 16 A 16 ASP middle . . 17 A 17 HIS middle . . 18 A 18 ALA middle . . 19 A 19 VAL middle . . 20 A 20 HIS middle . . 21 A 21 CYS middle -HG . 22 A 22 ASP middle . . 23 A 23 LYS middle . . 24 A 24 ALA middle . . 25 A 25 HIS middle . . 26 A 26 PRO middle . false 27 A 27 ASN middle . . 28 A 28 THR middle . . 29 A 29 CYS middle -HG . 30 A 30 LYS middle . . 31 A 31 LYS middle . . 32 A 32 LYS middle . . 33 A 33 GLN middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 PRO middle . false 37 A 37 TYR middle . . 38 A 38 ARG middle . . 39 A 39 ARG middle . . 40 A 40 GLY middle . false 41 A 41 CYS middle -HG . 42 A 42 GLY middle . false 43 A 43 VAL middle . . 44 A 44 LEU middle . . 45 A 45 GLU middle . . 46 A 46 GLY middle . false 47 A 47 CYS middle -HG . 48 A 48 HIS middle . . 49 A 49 ARG middle . . 50 A 50 GLU middle . . 51 A 51 THR middle . . 52 A 52 GLY middle . false 53 A 53 PRO middle . false 54 A 54 LYS middle . . 55 A 55 PRO middle . false 56 A 56 THR end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLU HA H 1 4.020 0.00 A 1 GLU HBy H 1 2.107 0.01 A 1 GLU HBx H 1 2.076 0.00 A 1 GLU HGx H 1 2.360 0.00 A 1 GLU C C 13 172.589 0.01 A 1 GLU CA C 13 55.659 0.01 A 1 GLU CB C 13 30.386 0.01 A 1 GLU CG C 13 35.634 0.01 A 2 ALA H H 1 8.775 0.00 A 2 ALA HA H 1 4.397 0.00 A 2 ALA HB% H 1 1.403 0.00 A 2 ALA C C 13 177.403 0.00 A 2 ALA CA C 13 52.583 0.01 A 2 ALA CB C 13 19.304 0.02 A 2 ALA N N 15 126.417 0.02 A 3 SER H H 1 8.432 0.00 A 3 SER HA H 1 4.442 0.00 A 3 SER HBx H 1 3.842 0.00 A 3 SER C C 13 174.452 0.00 A 3 SER CA C 13 58.298 0.01 A 3 SER CB C 13 63.802 0.01 A 3 SER N N 15 116.127 0.01 A 4 VAL H H 1 8.133 0.00 A 4 VAL HA H 1 4.081 0.00 A 4 VAL HB H 1 1.983 0.00 A 4 VAL HGx% H 1 0.789 0.00 A 4 VAL HGy% H 1 0.862 0.00 A 4 VAL C C 13 175.683 0.00 A 4 VAL CA C 13 62.194 0.01 A 4 VAL CB C 13 32.794 0.01 A 4 VAL CGy C 13 21.051 0.03 A 4 VAL CGx C 13 20.456 0.05 A 4 VAL N N 15 122.018 0.02 A 5 ARG H H 1 8.276 0.00 A 5 ARG HA H 1 4.273 0.00 A 5 ARG HBy H 1 1.670 0.00 A 5 ARG HBx H 1 1.648 0.00 A 5 ARG HDx H 1 3.123 0.00 A 5 ARG HGy H 1 1.486 0.04 A 5 ARG C C 13 175.546 0.00 A 5 ARG CA C 13 55.885 0.03 A 5 ARG CB C 13 31.040 0.01 A 5 ARG CD C 13 43.349 0.00 A 5 ARG CG C 13 27.049 0.00 A 5 ARG N N 15 124.682 0.01 A 6 TYR H H 1 8.145 0.00 A 6 TYR HA H 1 4.604 0.00 A 6 TYR HBy H 1 3.010 0.00 A 6 TYR HBx H 1 2.854 0.00 A 6 TYR C C 13 175.282 0.00 A 6 TYR CA C 13 57.518 0.00 A 6 TYR CB C 13 38.818 0.01 A 6 TYR N N 15 121.754 0.01 A 7 ILE H H 1 8.067 0.00 A 7 ILE HA H 1 4.105 0.00 A 7 ILE HB H 1 1.706 0.00 A 7 ILE HD1% H 1 0.793 0.00 A 7 ILE HG1y H 1 1.369 0.00 A 7 ILE HG1x H 1 1.056 0.00 A 7 ILE HG2% H 1 0.666 0.00 A 7 ILE C C 13 175.556 0.00 A 7 ILE CA C 13 60.917 0.01 A 7 ILE CB C 13 38.994 0.03 A 7 ILE CD1 C 13 12.808 0.05 A 7 ILE CG1 C 13 27.320 0.01 A 7 ILE CG2 C 13 17.277 0.00 A 7 ILE N N 15 123.239 0.01 A 8 THR H H 1 7.986 0.00 A 8 THR HA H 1 4.273 0.00 A 8 THR HB H 1 4.037 0.00 A 8 THR HG2% H 1 1.081 0.00 A 8 THR C C 13 173.443 0.00 A 8 THR CA C 13 61.348 0.03 A 8 THR CB C 13 70.037 0.01 A 8 THR CG2 C 13 21.536 0.08 A 8 THR N N 15 118.320 0.01 A 9 TYR H H 1 8.270 0.00 A 9 TYR HBy H 1 3.062 0.00 A 9 TYR HBx H 1 2.784 0.00 A 9 TYR C C 13 173.775 0.00 A 9 TYR CA C 13 55.824 0.00 A 9 TYR CB C 13 38.397 0.01 A 9 TYR N N 15 123.672 0.01 A 10 PRO HA H 1 4.385 0.00 A 10 PRO HBy H 1 2.248 0.00 A 10 PRO HBx H 1 1.895 0.00 A 10 PRO HDy H 1 3.730 0.00 A 10 PRO HDx H 1 3.601 0.00 A 10 PRO HGx H 1 1.986 0.00 A 10 PRO C C 13 176.365 0.00 A 10 PRO CA C 13 63.115 0.01 A 10 PRO CB C 13 32.095 0.01 A 10 PRO CD C 13 50.657 0.01 A 10 PRO CG C 13 27.366 0.01 A 11 ALA H H 1 8.321 0.00 A 11 ALA HA H 1 4.319 0.00 A 11 ALA HB% H 1 1.376 0.00 A 11 ALA C C 13 177.778 0.00 A 11 ALA CA C 13 52.486 0.02 A 11 ALA CB C 13 19.169 0.01 A 11 ALA N N 15 124.371 0.01 A 12 ILE H H 1 8.053 0.00 A 12 ILE HA H 1 4.131 0.00 A 12 ILE HB H 1 1.828 0.00 A 12 ILE HD1% H 1 0.834 0.00 A 12 ILE HG1y H 1 1.443 0.00 A 12 ILE HG1x H 1 1.158 0.00 A 12 ILE HG2% H 1 0.868 0.00 A 12 ILE C C 13 175.767 0.00 A 12 ILE CA C 13 61.086 0.01 A 12 ILE CB C 13 39.085 0.01 A 12 ILE CD1 C 13 13.063 0.01 A 12 ILE CG1 C 13 27.317 0.00 A 12 ILE CG2 C 13 17.480 0.00 A 12 ILE N N 15 119.727 0.01 A 13 ASP H H 1 8.403 0.00 A 13 ASP HA H 1 4.623 0.00 A 13 ASP HBy H 1 2.732 0.00 A 13 ASP HBx H 1 2.621 0.00 A 13 ASP C C 13 176.247 0.00 A 13 ASP CA C 13 54.116 0.01 A 13 ASP CB C 13 41.364 0.01 A 13 ASP N N 15 124.349 0.01 A 14 ARG H H 1 8.418 0.00 A 14 ARG HA H 1 4.325 0.00 A 14 ARG HBy H 1 1.929 0.00 A 14 ARG HBx H 1 1.745 0.00 A 14 ARG HDx H 1 3.175 0.01 A 14 ARG HGy H 1 1.657 0.00 A 14 ARG HGx H 1 1.610 0.00 A 14 ARG C C 13 176.952 0.00 A 14 ARG CA C 13 56.208 0.01 A 14 ARG CB C 13 30.543 0.01 A 14 ARG CD C 13 43.358 0.01 A 14 ARG CG C 13 27.240 0.00 A 14 ARG N N 15 122.609 0.01 A 15 GLY H H 1 8.485 0.00 A 15 GLY HAx H 1 3.909 0.00 A 15 GLY C C 13 173.920 0.00 A 15 GLY CA C 13 45.475 0.01 A 15 GLY N N 15 109.227 0.02 A 16 ASP H H 1 8.216 0.00 A 16 ASP HA H 1 4.527 0.00 A 16 ASP HBx H 1 2.605 0.00 A 16 ASP C C 13 176.264 0.00 A 16 ASP CA C 13 54.253 0.01 A 16 ASP CB C 13 41.036 0.01 A 16 ASP N N 15 119.938 0.00 A 17 HIS H H 1 8.390 0.00 A 17 HIS HA H 1 4.630 0.00 A 17 HIS HBy H 1 3.268 0.00 A 17 HIS HBx H 1 3.114 0.00 A 17 HIS C C 13 174.399 0.00 A 17 HIS CA C 13 55.507 0.01 A 17 HIS CB C 13 29.271 0.02 A 17 HIS N N 15 118.927 0.01 A 18 ALA H H 1 8.162 0.00 A 18 ALA HA H 1 4.291 0.00 A 18 ALA HB% H 1 1.306 0.00 A 18 ALA C C 13 177.428 0.00 A 18 ALA CA C 13 52.512 0.01 A 18 ALA CB C 13 19.386 0.00 A 18 ALA N N 15 124.362 0.01 A 19 VAL H H 1 8.066 0.00 A 19 VAL HA H 1 4.028 0.00 A 19 VAL HB H 1 1.973 0.00 A 19 VAL HGx% H 1 0.850 0.00 A 19 VAL HGy% H 1 0.884 0.00 A 19 VAL C C 13 175.748 0.00 A 19 VAL CA C 13 62.222 0.01 A 19 VAL CB C 13 32.836 0.01 A 19 VAL CGy C 13 21.249 0.04 A 19 VAL CGx C 13 20.743 0.10 A 19 VAL N N 15 119.308 0.01 A 20 HIS H H 1 8.489 0.00 A 20 HIS HA H 1 4.715 0.00 A 20 HIS HBy H 1 3.168 0.00 A 20 HIS HBx H 1 3.078 0.00 A 20 HIS C C 13 174.016 0.00 A 20 HIS CA C 13 55.166 0.02 A 20 HIS CB C 13 30.074 0.01 A 20 HIS N N 15 123.092 0.01 A 21 CYS H H 1 8.407 0.00 A 21 CYS HA H 1 4.636 0.01 A 21 CYS HBy H 1 3.137 0.00 A 21 CYS HBx H 1 2.993 0.01 A 21 CYS C C 13 173.100 0.00 A 21 CYS CA C 13 55.526 0.01 A 21 CYS CB C 13 40.391 0.01 A 21 CYS N N 15 120.664 0.01 A 22 ASP H H 1 8.480 0.00 A 22 ASP HA H 1 4.635 0.00 A 22 ASP HBy H 1 2.850 0.00 A 22 ASP HBx H 1 2.766 0.00 A 22 ASP C C 13 176.718 0.00 A 22 ASP CA C 13 53.143 0.00 A 22 ASP CB C 13 41.958 0.00 A 22 ASP N N 15 126.376 0.01 A 23 LYS H H 1 8.541 0.00 A 23 LYS HA H 1 3.926 0.00 A 23 LYS HBx H 1 1.821 0.00 A 23 LYS HDx H 1 1.683 0.00 A 23 LYS HEx H 1 2.990 0.00 A 23 LYS HGy H 1 1.488 0.00 A 23 LYS HGx H 1 1.454 0.00 A 23 LYS C C 13 177.082 0.01 A 23 LYS CA C 13 58.526 0.01 A 23 LYS CB C 13 32.183 0.01 A 23 LYS CD C 13 29.171 0.01 A 23 LYS CE C 13 42.138 0.01 A 23 LYS CG C 13 24.975 0.01 A 23 LYS N N 15 123.479 0.01 A 24 ALA H H 1 8.078 0.00 A 24 ALA HA H 1 4.163 0.00 A 24 ALA HB% H 1 1.217 0.00 A 24 ALA C C 13 177.299 0.00 A 24 ALA CA C 13 52.870 0.02 A 24 ALA CB C 13 18.868 0.01 A 24 ALA N N 15 119.657 0.01 A 25 HIS H H 1 7.848 0.00 A 25 HIS HA H 1 4.619 0.43 A 25 HIS HBy H 1 3.287 0.00 A 25 HIS HBx H 1 3.052 0.00 A 25 HIS C C 13 172.797 0.00 A 25 HIS CA C 13 53.517 0.02 A 25 HIS CB C 13 29.397 0.00 A 25 HIS N N 15 115.383 0.01 A 26 PRO HA H 1 4.365 0.00 A 26 PRO HBy H 1 2.295 0.00 A 26 PRO HBx H 1 1.990 0.00 A 26 PRO HDy H 1 3.640 0.00 A 26 PRO HDx H 1 3.444 0.00 A 26 PRO HGx H 1 1.989 0.00 A 26 PRO C C 13 178.167 0.00 A 26 PRO CA C 13 65.251 0.01 A 26 PRO CB C 13 31.981 0.01 A 26 PRO CD C 13 50.456 0.02 A 26 PRO CG C 13 27.151 0.01 A 27 ASN H H 1 8.921 0.00 A 27 ASN HA H 1 4.616 0.00 A 27 ASN HBy H 1 2.931 0.01 A 27 ASN HBx H 1 2.901 0.00 A 27 ASN C C 13 176.765 0.00 A 27 ASN CA C 13 55.393 0.01 A 27 ASN CB C 13 37.737 0.00 A 27 ASN N N 15 117.497 0.01 A 28 THR H H 1 8.182 0.00 A 28 THR HA H 1 4.337 0.00 A 28 THR HB H 1 4.499 0.00 A 28 THR HG2% H 1 1.304 0.00 A 28 THR C C 13 174.926 0.00 A 28 THR CA C 13 63.019 0.01 A 28 THR CB C 13 69.645 0.01 A 28 THR CG2 C 13 21.849 0.02 A 28 THR N N 15 110.899 0.01 A 29 CYS H H 1 7.729 0.00 A 29 CYS HA H 1 4.653 0.00 A 29 CYS HBy H 1 3.235 0.00 A 29 CYS HBx H 1 3.203 0.00 A 29 CYS C C 13 174.216 0.00 A 29 CYS CA C 13 56.610 0.03 A 29 CYS CB C 13 43.214 0.01 A 29 CYS N N 15 119.993 0.01 A 30 LYS H H 1 8.081 0.07 A 30 LYS HA H 1 4.302 0.00 A 30 LYS HBy H 1 1.838 0.00 A 30 LYS HBx H 1 1.747 0.00 A 30 LYS HDx H 1 1.673 0.00 A 30 LYS HEx H 1 2.992 0.00 A 30 LYS HGy H 1 1.449 0.00 A 30 LYS HGx H 1 1.399 0.00 A 30 LYS C C 13 176.347 0.00 A 30 LYS CA C 13 56.452 0.02 A 30 LYS CB C 13 33.151 0.01 A 30 LYS CD C 13 29.155 0.02 A 30 LYS CE C 13 42.239 0.00 A 30 LYS CG C 13 24.858 0.01 A 30 LYS N N 15 122.216 0.01 A 31 LYS H H 1 8.291 0.00 A 31 LYS HA H 1 4.284 0.00 A 31 LYS HBy H 1 1.793 0.01 A 31 LYS HBx H 1 1.740 0.00 A 31 LYS HDx H 1 1.673 0.00 A 31 LYS HEx H 1 2.992 0.00 A 31 LYS HGy H 1 1.449 0.00 A 31 LYS HGx H 1 1.399 0.00 A 31 LYS C C 13 176.563 0.01 A 31 LYS CA C 13 56.435 0.01 A 31 LYS CB C 13 33.117 0.01 A 31 LYS CD C 13 29.157 0.02 A 31 LYS CE C 13 42.227 0.00 A 31 LYS CG C 13 24.858 0.01 A 31 LYS N N 15 122.680 0.04 A 32 LYS H H 1 8.365 0.00 A 32 LYS HA H 1 4.272 0.00 A 32 LYS HBy H 1 1.790 0.01 A 32 LYS HBx H 1 1.740 0.00 A 32 LYS HDx H 1 1.673 0.00 A 32 LYS HEx H 1 2.991 0.00 A 32 LYS HGy H 1 1.448 0.00 A 32 LYS HGx H 1 1.397 0.00 A 32 LYS C C 13 176.426 0.00 A 32 LYS CA C 13 56.424 0.01 A 32 LYS CB C 13 33.042 0.01 A 32 LYS CD C 13 29.154 0.02 A 32 LYS CE C 13 42.206 0.00 A 32 LYS CG C 13 24.821 0.01 A 32 LYS N N 15 123.151 0.01 A 33 GLN H H 1 8.401 0.00 A 33 GLN HA H 1 4.299 0.00 A 33 GLN HBy H 1 2.062 0.00 A 33 GLN HBx H 1 1.953 0.00 A 33 GLN HGx H 1 2.352 0.00 A 33 GLN C C 13 175.432 0.00 A 33 GLN CA C 13 55.578 0.01 A 33 GLN CB C 13 29.729 0.00 A 33 GLN CG C 13 33.793 0.01 A 33 GLN N N 15 122.194 0.01 A 34 ALA H H 1 8.391 0.00 A 34 ALA HA H 1 4.271 0.00 A 34 ALA HB% H 1 1.347 0.00 A 34 ALA C C 13 177.085 0.00 A 34 ALA CA C 13 52.455 0.01 A 34 ALA CB C 13 19.416 0.00 A 34 ALA N N 15 125.862 0.01 A 35 ASN H H 1 8.449 0.00 A 35 ASN HA H 1 4.925 0.00 A 35 ASN HBy H 1 2.810 0.00 A 35 ASN HBx H 1 2.692 0.00 A 35 ASN C C 13 173.616 0.00 A 35 ASN CA C 13 51.224 0.00 A 35 ASN CB C 13 38.986 0.00 A 35 ASN N N 15 118.986 0.00 A 36 PRO HA H 1 4.348 0.00 A 36 PRO HBy H 1 2.150 0.00 A 36 PRO HBx H 1 1.687 0.00 A 36 PRO HDy H 1 3.730 0.00 A 36 PRO HDx H 1 3.652 0.00 A 36 PRO HGy H 1 1.914 0.00 A 36 PRO HGx H 1 1.703 0.00 A 36 PRO C C 13 176.553 0.00 A 36 PRO CA C 13 63.473 0.01 A 36 PRO CB C 13 32.014 0.01 A 36 PRO CD C 13 50.663 0.01 A 36 PRO CG C 13 26.880 0.00 A 37 TYR H H 1 8.101 0.00 A 37 TYR HA H 1 4.528 0.00 A 37 TYR HBy H 1 3.047 0.00 A 37 TYR HBx H 1 2.943 0.00 A 37 TYR C C 13 175.729 0.00 A 37 TYR CA C 13 57.903 0.00 A 37 TYR CB C 13 38.355 0.01 A 37 TYR N N 15 119.767 0.01 A 38 ARG H H 1 7.958 0.00 A 38 ARG HA H 1 4.273 0.00 A 38 ARG HBy H 1 1.805 0.00 A 38 ARG HBx H 1 1.711 0.00 A 38 ARG HDx H 1 3.171 0.00 A 38 ARG HGx H 1 1.558 0.00 A 38 ARG C C 13 175.625 0.01 A 38 ARG CA C 13 55.855 0.04 A 38 ARG CB C 13 31.003 0.02 A 38 ARG CD C 13 43.449 0.01 A 38 ARG CG C 13 27.025 0.01 A 38 ARG N N 15 122.875 0.01 A 39 ARG H H 1 8.302 0.00 A 39 ARG HA H 1 4.268 0.00 A 39 ARG HBy H 1 1.851 0.00 A 39 ARG HBx H 1 1.765 0.00 A 39 ARG HDx H 1 3.199 0.00 A 39 ARG HGy H 1 1.651 0.00 A 39 ARG HGx H 1 1.619 0.00 A 39 ARG C C 13 176.770 0.00 A 39 ARG CA C 13 56.456 0.01 A 39 ARG CB C 13 30.794 0.01 A 39 ARG CD C 13 43.435 0.00 A 39 ARG CG C 13 27.202 0.01 A 39 ARG N N 15 122.561 0.04 A 40 GLY H H 1 8.472 0.00 A 40 GLY HAx H 1 3.962 0.00 A 40 GLY C C 13 173.828 0.00 A 40 GLY CA C 13 45.346 0.01 A 40 GLY N N 15 110.392 0.01 A 41 CYS H H 1 8.298 0.00 A 41 CYS HA H 1 4.632 0.00 A 41 CYS HBy H 1 3.162 0.01 A 41 CYS HBx H 1 3.122 0.00 A 41 CYS C C 13 174.687 0.00 A 41 CYS CA C 13 56.196 0.01 A 41 CYS CB C 13 42.732 0.00 A 41 CYS N N 15 118.076 0.00 A 42 GLY H H 1 8.760 0.00 A 42 GLY HAy H 1 4.102 0.00 A 42 GLY HAx H 1 3.953 0.00 A 42 GLY C C 13 174.569 0.01 A 42 GLY CA C 13 45.482 0.01 A 42 GLY N N 15 112.326 0.01 A 43 VAL H H 1 8.043 0.00 A 43 VAL HA H 1 4.076 0.00 A 43 VAL HB H 1 2.147 0.00 A 43 VAL HGx% H 1 0.949 0.00 A 43 VAL HGy% H 1 0.925 0.00 A 43 VAL C C 13 177.356 0.00 A 43 VAL CA C 13 63.159 0.01 A 43 VAL CB C 13 32.462 0.01 A 43 VAL CGy C 13 21.282 0.02 A 43 VAL CGx C 13 20.324 0.01 A 43 VAL N N 15 118.994 0.01 A 44 LEU H H 1 8.384 0.00 A 44 LEU HA H 1 4.217 0.00 A 44 LEU HBy H 1 1.735 0.00 A 44 LEU HBx H 1 1.589 0.00 A 44 LEU HDx% H 1 0.920 0.00 A 44 LEU HDy% H 1 0.865 0.00 A 44 LEU HG H 1 1.634 0.00 A 44 LEU C C 13 177.995 0.00 A 44 LEU CA C 13 56.462 0.01 A 44 LEU CB C 13 41.660 0.00 A 44 LEU CDy C 13 24.892 0.00 A 44 LEU CDx C 13 23.283 0.01 A 44 LEU CG C 13 27.042 0.02 A 44 LEU N N 15 122.743 0.01 A 45 GLU H H 1 8.207 0.00 A 45 GLU HA H 1 4.246 0.00 A 45 GLU HBy H 1 2.107 0.01 A 45 GLU HBx H 1 2.081 0.00 A 45 GLU HGy H 1 2.316 0.00 A 45 GLU HGx H 1 2.239 0.00 A 45 GLU C C 13 176.926 0.00 A 45 GLU CA C 13 57.231 0.00 A 45 GLU CB C 13 30.099 0.01 A 45 GLU CG C 13 36.596 0.01 A 45 GLU N N 15 118.536 0.01 A 46 GLY H H 1 8.174 0.00 A 46 GLY HAy H 1 4.062 0.00 A 46 GLY HAx H 1 3.869 0.00 A 46 GLY C C 13 174.081 0.00 A 46 GLY CA C 13 45.522 0.01 A 46 GLY N N 15 108.560 0.01 A 47 CYS H H 1 8.128 0.00 A 47 CYS HA H 1 4.576 0.00 A 47 CYS HBy H 1 3.146 0.00 A 47 CYS HBx H 1 2.995 0.00 A 47 CYS C C 13 174.157 0.01 A 47 CYS CA C 13 56.311 0.01 A 47 CYS CB C 13 41.918 0.00 A 47 CYS N N 15 117.746 0.00 A 48 HIS H H 1 8.542 0.00 A 48 HIS HA H 1 4.648 0.00 A 48 HIS HBy H 1 3.212 0.00 A 48 HIS HBx H 1 3.135 0.00 A 48 HIS C C 13 174.423 0.00 A 48 HIS CA C 13 55.827 0.04 A 48 HIS CB C 13 29.623 0.01 A 48 HIS N N 15 121.010 0.01 A 49 ARG H H 1 8.330 0.00 A 49 ARG HA H 1 4.321 0.00 A 49 ARG HBy H 1 1.807 0.00 A 49 ARG HBx H 1 1.715 0.01 A 49 ARG HGx H 1 1.572 0.00 A 49 ARG C C 13 176.069 0.00 A 49 ARG CA C 13 56.134 0.01 A 49 ARG CB C 13 31.057 0.01 A 49 ARG CD C 13 43.386 0.00 A 49 ARG CG C 13 27.145 0.01 A 49 ARG N N 15 122.820 0.01 A 50 GLU H H 1 8.648 0.00 A 50 GLU HA H 1 4.369 0.00 A 50 GLU HBy H 1 2.086 0.00 A 50 GLU HBx H 1 1.953 0.00 A 50 GLU HGx H 1 2.283 0.00 A 50 GLU C C 13 176.658 0.00 A 50 GLU CA C 13 56.601 0.01 A 50 GLU CB C 13 30.201 0.01 A 50 GLU CG C 13 36.220 0.01 A 50 GLU N N 15 122.679 0.02 A 51 THR H H 1 8.251 0.00 A 51 THR HA H 1 4.381 0.00 A 51 THR HB H 1 4.268 0.00 A 51 THR HG2% H 1 1.194 0.00 A 51 THR C C 13 174.754 0.00 A 51 THR CA C 13 61.737 0.01 A 51 THR CB C 13 69.945 0.01 A 51 THR CG2 C 13 21.468 0.08 A 51 THR N N 15 114.796 0.01 A 52 GLY H H 1 8.260 0.00 A 52 GLY HAy H 1 4.146 0.00 A 52 GLY HAx H 1 4.072 0.00 A 52 GLY C C 13 171.492 0.00 A 52 GLY CA C 13 44.631 0.01 A 52 GLY N N 15 111.357 0.01 A 53 PRO HA H 1 4.428 0.00 A 53 PRO HBy H 1 2.248 0.00 A 53 PRO HBx H 1 1.884 0.00 A 53 PRO HDx H 1 3.597 0.00 A 53 PRO HGx H 1 1.989 0.00 A 53 PRO C C 13 176.852 0.00 A 53 PRO CA C 13 62.933 0.01 A 53 PRO CB C 13 32.208 0.02 A 53 PRO CD C 13 49.797 0.00 A 53 PRO CG C 13 27.157 0.00 A 54 LYS H H 1 8.412 0.00 A 54 LYS HA H 1 4.580 0.00 A 54 LYS HBy H 1 1.817 0.00 A 54 LYS HBx H 1 1.725 0.00 A 54 LYS HDx H 1 1.683 0.00 A 54 LYS HEx H 1 2.991 0.00 A 54 LYS HGx H 1 1.488 0.00 A 54 LYS C C 13 174.703 0.00 A 54 LYS CA C 13 54.229 0.00 A 54 LYS CB C 13 32.577 0.01 A 54 LYS CD C 13 29.166 0.00 A 54 LYS CE C 13 42.184 0.00 A 54 LYS CG C 13 24.547 0.00 A 54 LYS N N 15 123.244 0.01 A 55 PRO HA H 1 4.475 0.00 A 55 PRO HBy H 1 2.295 0.00 A 55 PRO HBx H 1 1.971 0.00 A 55 PRO HDy H 1 3.818 0.00 A 55 PRO HDx H 1 3.651 0.00 A 55 PRO HGy H 1 2.042 0.00 A 55 PRO HGx H 1 1.996 0.00 A 55 PRO C C 13 176.392 0.00 A 55 PRO CA C 13 63.451 0.06 A 55 PRO CB C 13 32.046 0.01 A 55 PRO CD C 13 50.760 0.00 A 55 PRO CG C 13 27.372 0.00 A 56 THR H H 1 7.817 0.00 A 56 THR HA H 1 4.113 0.00 A 56 THR HB H 1 4.220 0.00 A 56 THR HG2% H 1 1.178 0.00 A 56 THR C C 13 179.321 0.00 A 56 THR CA C 13 63.254 0.01 A 56 THR CB C 13 70.851 0.00 A 56 THR CG2 C 13 22.094 0.00 A 56 THR N N 15 119.752 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 GLU HGx A 1 GLU HBy 1.0 1.8 4.02 2 2 A 2 ALA HA A 3 SER H 1.0 1.8 4.94 3 3 A 2 ALA HA A 2 ALA HB% 1.0 1.8 4.81 4 4 A 3 SER H A 4 VAL H 1.0 1.8 5.58 5 5 A 4 VAL H A 3 SER HBx 1.0 1.8 5.14 6 6 A 3 SER HBx A 3 SER HA 1.0 1.8 4.44 7 7 A 3 SER H A 3 SER HA 1.0 1.8 4.24 8 8 A 4 VAL H A 3 SER HA 1.0 1.8 4.01 9 9 A 4 VAL HGy% A 5 ARG HA 1.0 1.8 6.87 10 10 A 4 VAL H A 5 ARG HBx 1.0 1.8 6.76 11 10 A 4 VAL H A 5 ARG HBy 1.0 1.8 6.76 12 11 A 4 VAL HB A 5 ARG H 1.0 1.8 5.84 13 12 A 4 VAL HB A 4 VAL HA 1.0 1.8 5.22 14 13 A 4 VAL H A 5 ARG HA 1.0 1.8 5.18 15 14 A 4 VAL HA A 4 VAL HGx% 1.0 1.8 5.02 16 15 A 5 ARG HA A 4 VAL HA 1.0 1.8 4.95 17 16 A 4 VAL H A 4 VAL HB 1.0 1.8 4.75 18 17 A 4 VAL HB A 4 VAL HGx% 1.0 1.8 4.72 19 18 A 4 VAL H A 4 VAL HA 1.0 1.8 4.72 20 19 A 4 VAL H A 4 VAL HGy% 1.0 1.8 4.68 21 20 A 4 VAL HB A 4 VAL HA 1.0 1.8 4.50 22 21 A 5 ARG H A 4 VAL HA 1.0 1.8 3.86 23 22 A 4 VAL HGy% A 4 VAL HB 1.0 1.8 2.45 24 23 A 5 ARG HA A 6 TYR HBx 1.0 1.8 5.76 25 24 A 5 ARG HA A 6 TYR HBy 1.0 1.8 5.65 26 25 A 5 ARG HGy A 6 TYR H 1.0 1.8 5.62 27 26 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.60 28 27 A 5 ARG HBy A 5 ARG H 1.0 1.8 5.38 29 28 A 6 TYR H A 5 ARG HBx 1.0 1.8 5.38 30 28 A 5 ARG HBy A 6 TYR H 1.0 1.8 5.38 31 29 A 5 ARG H A 5 ARG HBx 1.0 1.8 5.38 32 30 A 5 ARG HDx A 5 ARG HBx 1.0 1.8 5.30 33 31 A 5 ARG HA A 5 ARG H 1.0 1.8 5.17 34 32 A 5 ARG HA A 5 ARG HGy 1.0 1.8 5.03 35 33 A 5 ARG HBy A 5 ARG HDx 1.0 1.8 4.85 36 34 A 5 ARG HA A 6 TYR HA 1.0 1.8 4.72 37 35 A 5 ARG H A 5 ARG HBx 1.0 1.8 4.27 38 35 A 5 ARG HBy A 5 ARG H 1.0 1.8 4.27 39 36 A 5 ARG HA A 6 TYR H 1.0 1.8 4.03 40 37 A 6 TYR HBx A 7 ILE H 1.0 1.8 5.46 41 38 A 6 TYR HBy A 6 TYR H 1.0 1.8 5.32 42 39 A 6 TYR H A 7 ILE HB 1.0 1.8 5.12 43 40 A 6 TYR HBx A 6 TYR HA 1.0 1.8 4.98 44 41 A 6 TYR HBy A 6 TYR HA 1.0 1.8 4.91 45 42 A 6 TYR H A 6 TYR HA 1.0 1.8 4.87 46 43 A 6 TYR HBx A 6 TYR H 1.0 1.8 4.76 47 44 A 6 TYR H A 7 ILE HA 1.0 1.8 4.64 48 45 A 6 TYR HBy A 7 ILE H 1.0 1.8 4.56 49 46 A 6 TYR HBx A 6 TYR HA 1.0 1.8 4.55 50 47 A 6 TYR HBx A 6 TYR H 1.0 1.8 4.16 51 48 A 6 TYR HA A 7 ILE H 1.0 1.8 3.82 52 49 A 7 ILE HA A 8 THR HG2% 1.0 1.8 7.21 53 50 A 7 ILE HG1y A 7 ILE HD1% 1.0 1.8 6.79 54 51 A 7 ILE H A 7 ILE HG1y 1.0 1.8 5.94 55 52 A 7 ILE HG1y A 7 ILE HG1x 1.0 1.8 5.89 56 53 A 7 ILE H A 7 ILE HG1x 1.0 1.8 5.78 57 54 A 7 ILE HB A 8 THR H 1.0 1.8 5.51 58 55 A 7 ILE HG1y A 7 ILE HG1x 1.0 1.8 5.50 59 56 A 7 ILE HB A 7 ILE HG1x 1.0 1.8 5.39 60 57 A 7 ILE HA A 7 ILE HD1% 1.0 1.8 5.35 61 58 A 8 THR H A 7 ILE HG2% 1.0 1.8 5.33 62 59 A 7 ILE H A 7 ILE HG1y 1.0 1.8 5.30 63 60 A 7 ILE H A 7 ILE HG1x 1.0 1.8 5.22 64 61 A 7 ILE HA A 7 ILE HG1y 1.0 1.8 5.22 65 62 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 5.21 66 63 A 7 ILE HB A 7 ILE HG2% 1.0 1.8 5.05 67 64 A 7 ILE HB A 7 ILE HA 1.0 1.8 4.99 68 65 A 7 ILE HA A 7 ILE HG1x 1.0 1.8 4.87 69 66 A 7 ILE HB A 7 ILE HA 1.0 1.8 4.82 70 67 A 7 ILE H A 7 ILE HB 1.0 1.8 4.80 71 68 A 7 ILE H A 7 ILE HA 1.0 1.8 4.74 72 69 A 7 ILE H A 7 ILE HB 1.0 1.8 4.39 73 70 A 7 ILE HB A 7 ILE HG1y 1.0 1.8 4.14 74 71 A 7 ILE HA A 8 THR H 1.0 1.8 3.71 75 72 A 8 THR HG2% A 8 THR H 1.0 1.8 5.33 76 73 A 8 THR H A 8 THR HB 1.0 1.8 5.30 77 74 A 8 THR HG2% A 9 TYR H 1.0 1.8 5.13 78 75 A 8 THR H A 8 THR HA 1.0 1.8 5.08 79 76 A 8 THR HG2% A 8 THR HA 1.0 1.8 4.76 80 77 A 8 THR HB A 9 TYR H 1.0 1.8 4.73 81 78 A 8 THR H A 9 TYR H 1.0 1.8 4.58 82 79 A 8 THR HG2% A 8 THR HA 1.0 1.8 4.07 83 80 A 8 THR HB A 8 THR HA 1.0 1.8 4.06 84 81 A 9 TYR H A 8 THR HA 1.0 1.8 3.67 85 82 A 8 THR HG2% A 8 THR HB 1.0 1.8 3.49 86 83 A 9 TYR HBy A 10 PRO HGx 1.0 1.8 6.10 87 84 A 9 TYR HBx A 10 PRO HDx 1.0 1.8 5.33 88 85 A 9 TYR H A 9 TYR HBy 1.0 1.8 5.12 89 86 A 9 TYR HBx A 10 PRO HDy 1.0 1.8 4.91 90 87 A 9 TYR HBy A 9 TYR HBx 1.0 1.8 4.75 91 88 A 9 TYR HBy A 10 PRO HDx 1.0 1.8 4.71 92 89 A 9 TYR H A 9 TYR HBx 1.0 1.8 4.40 93 90 A 9 TYR HBy A 10 PRO HDy 1.0 1.8 4.37 94 91 A 9 TYR H A 9 TYR HBy 1.0 1.8 4.34 95 92 A 9 TYR H A 9 TYR HBx 1.0 1.8 4.11 96 93 A 10 PRO HA A 11 ALA HB% 1.0 1.8 5.91 97 94 A 10 PRO HGx A 11 ALA HA 1.0 1.8 5.69 98 95 A 10 PRO HBy A 11 ALA H 1.0 1.8 5.54 99 96 A 11 ALA H A 10 PRO HBx 1.0 1.8 5.28 100 97 A 10 PRO HDy A 10 PRO HA 1.0 1.8 5.06 101 98 A 10 PRO HGx A 10 PRO HA 1.0 1.8 4.75 102 99 A 10 PRO HA A 10 PRO HBx 1.0 1.8 4.54 103 100 A 10 PRO HBy A 10 PRO HBx 1.0 1.8 4.10 104 101 A 10 PRO HBy A 10 PRO HBx 1.0 1.8 4.08 105 102 A 10 PRO HA A 10 PRO HBy 1.0 1.8 4.08 106 103 A 10 PRO HDx A 10 PRO HBy 1.0 1.8 3.98 107 104 A 10 PRO HA A 11 ALA H 1.0 1.8 3.59 108 105 A 10 PRO HDx A 10 PRO HBx 1.0 1.8 3.56 109 106 A 10 PRO HGx A 10 PRO HBy 1.0 1.8 3.48 110 107 A 10 PRO HGx A 10 PRO HDx 1.0 1.8 3.40 111 108 A 11 ALA HB% A 12 ILE HA 1.0 1.8 5.48 112 109 A 11 ALA H A 12 ILE HA 1.0 1.8 5.16 113 110 A 11 ALA HB% A 12 ILE H 1.0 1.8 4.45 114 111 A 11 ALA HA A 11 ALA H 1.0 1.8 4.43 115 112 A 11 ALA HB% A 11 ALA H 1.0 1.8 4.34 116 113 A 11 ALA HA A 11 ALA H 1.0 1.8 4.33 117 114 A 11 ALA H A 12 ILE H 1.0 1.8 4.31 118 115 A 11 ALA HB% A 11 ALA H 1.0 1.8 4.04 119 116 A 11 ALA HA A 12 ILE H 1.0 1.8 3.50 120 117 A 12 ILE HG2% A 13 ASP HA 1.0 1.8 7.25 121 118 A 12 ILE HG2% A 14 ARG H 1.0 1.8 6.36 122 119 A 12 ILE HD1% A 12 ILE HG1y 1.0 1.8 6.25 123 120 A 12 ILE HG1y A 13 ASP H 1.0 1.8 5.89 124 121 A 12 ILE H A 12 ILE HG2% 1.0 1.8 5.89 125 122 A 12 ILE HA A 13 ASP HA 1.0 1.8 5.41 126 123 A 12 ILE H A 12 ILE HG1y 1.0 1.8 5.40 127 124 A 12 ILE HA A 12 ILE HB 1.0 1.8 5.38 128 125 A 12 ILE HA A 12 ILE HG1y 1.0 1.8 5.34 129 126 A 12 ILE HA A 12 ILE HG2% 1.0 1.8 5.33 130 127 A 12 ILE HD1% A 12 ILE HG1x 1.0 1.8 5.29 131 128 A 12 ILE HD1% A 12 ILE HB 1.0 1.8 5.24 132 129 A 12 ILE HG2% A 13 ASP H 1.0 1.8 5.14 133 130 A 12 ILE HA A 12 ILE HG2% 1.0 1.8 5.09 134 131 A 12 ILE HG1y A 12 ILE HG1x 1.0 1.8 5.02 135 132 A 12 ILE HA A 12 ILE HD1% 1.0 1.8 4.96 136 133 A 12 ILE HB A 14 ARG HGx 1.0 1.8 4.79 137 134 A 14 ARG H A 12 ILE HB 1.0 1.8 4.75 138 135 A 12 ILE H A 14 ARG HDx 1.0 1.8 4.71 139 136 A 12 ILE HA A 12 ILE HB 1.0 1.8 4.66 140 137 A 12 ILE HG2% A 12 ILE HB 1.0 1.8 4.60 141 138 A 12 ILE HG2% A 12 ILE HB 1.0 1.8 4.58 142 139 A 12 ILE H A 12 ILE HG1y 1.0 1.8 4.56 143 140 A 13 ASP H A 12 ILE HB 1.0 1.8 4.53 144 141 A 12 ILE HA A 12 ILE H 1.0 1.8 4.38 145 142 A 12 ILE HB A 12 ILE HG1x 1.0 1.8 4.38 146 143 A 12 ILE H A 13 ASP H 1.0 1.8 4.35 147 144 A 12 ILE H A 14 ARG H 1.0 1.8 4.23 148 145 A 12 ILE H A 12 ILE HB 1.0 1.8 4.19 149 146 A 12 ILE H A 12 ILE HG1x 1.0 1.8 4.05 150 147 A 12 ILE H A 12 ILE HB 1.0 1.8 3.85 151 148 A 12 ILE HG1y A 12 ILE HB 1.0 1.8 3.82 152 149 A 12 ILE HA A 13 ASP H 1.0 1.8 3.49 153 150 A 13 ASP HA A 14 ARG HBx 1.0 1.8 6.35 154 151 A 13 ASP HA A 14 ARG HBy 1.0 1.8 5.90 155 152 A 13 ASP H A 14 ARG HA 1.0 1.8 5.40 156 153 A 13 ASP H A 14 ARG HGy 1.0 1.8 4.96 157 154 A 13 ASP HA A 13 ASP H 1.0 1.8 4.44 158 155 A 14 ARG H A 13 ASP HBx 1.0 1.8 4.43 159 156 A 13 ASP H A 13 ASP HBx 1.0 1.8 4.34 160 157 A 13 ASP H A 13 ASP HBy 1.0 1.8 4.33 161 158 A 13 ASP H A 13 ASP HBx 1.0 1.8 3.79 162 159 A 13 ASP HA A 14 ARG H 1.0 1.8 3.50 163 160 A 13 ASP HA A 13 ASP H 1.0 1.8 3.50 164 161 A 14 ARG HDx A 14 ARG HGy 1.0 1.8 5.58 165 162 A 14 ARG HBy A 15 GLY HAx 1.0 1.8 5.45 166 163 A 14 ARG HBy A 15 GLY H 1.0 1.8 5.26 167 164 A 14 ARG HDx A 14 ARG HBy 1.0 1.8 4.97 168 165 A 14 ARG HA A 14 ARG HGy 1.0 1.8 4.84 169 166 A 14 ARG HGx A 14 ARG HA 1.0 1.8 4.84 170 167 A 14 ARG HBx A 15 GLY HAx 1.0 1.8 4.80 171 168 A 14 ARG HDx A 14 ARG HA 1.0 1.8 4.75 172 169 A 14 ARG HA A 15 GLY H 1.0 1.8 4.48 173 170 A 14 ARG HDx A 14 ARG HBx 1.0 1.8 4.37 174 171 A 14 ARG H A 14 ARG HGx 1.0 1.8 4.02 175 172 A 14 ARG H A 14 ARG HBx 1.0 1.8 3.98 176 173 A 14 ARG H A 14 ARG HGy 1.0 1.8 3.60 177 174 A 14 ARG HBy A 14 ARG HGy 1.0 1.8 3.06 178 175 A 15 GLY HAx A 16 ASP HBx 1.0 1.8 4.68 179 176 A 15 GLY HAx A 16 ASP HA 1.0 1.8 4.62 180 177 A 15 GLY H A 16 ASP H 1.0 1.8 4.49 181 178 A 15 GLY HAx A 15 GLY H 1.0 1.8 3.77 182 179 A 15 GLY HAx A 16 ASP H 1.0 1.8 3.30 183 180 A 15 GLY HAx A 15 GLY H 1.0 1.8 3.17 184 181 A 16 ASP H A 17 HIS H 1.0 1.8 5.11 185 182 A 16 ASP HBx A 16 ASP HA 1.0 1.8 4.86 186 183 A 16 ASP HBx A 17 HIS H 1.0 1.8 4.74 187 184 A 16 ASP HA A 17 HIS H 1.0 1.8 4.64 188 185 A 16 ASP HA A 16 ASP H 1.0 1.8 4.54 189 186 A 16 ASP HBx A 16 ASP H 1.0 1.8 4.03 190 187 A 16 ASP HBx A 16 ASP HA 1.0 1.8 3.90 191 188 A 16 ASP HBx A 16 ASP H 1.0 1.8 3.41 192 189 A 17 HIS HA A 18 ALA HB% 1.0 1.8 6.07 193 190 A 17 HIS HBy A 18 ALA H 1.0 1.8 5.43 194 191 A 17 HIS H A 17 HIS HA 1.0 1.8 5.40 195 192 A 17 HIS H A 17 HIS HBx 1.0 1.8 5.27 196 193 A 17 HIS HA A 17 HIS HBy 1.0 1.8 4.84 197 194 A 17 HIS HA A 18 ALA HA 1.0 1.8 4.76 198 195 A 17 HIS HA A 18 ALA H 1.0 1.8 4.46 199 196 A 17 HIS HA A 17 HIS HBx 1.0 1.8 3.32 200 197 A 18 ALA HA A 19 VAL HGy% 1.0 1.8 6.52 201 197 A 18 ALA HA A 19 VAL HGx% 1.0 1.8 6.52 202 198 A 18 ALA HA A 19 VAL HGy% 1.0 1.8 6.41 203 199 A 18 ALA HB% A 19 VAL HA 1.0 1.8 5.99 204 200 A 18 ALA H A 18 ALA HA 1.0 1.8 5.85 205 201 A 18 ALA HA A 19 VAL HB 1.0 1.8 5.83 206 202 A 18 ALA HB% A 18 ALA H 1.0 1.8 4.34 207 203 A 18 ALA HB% A 19 VAL H 1.0 1.8 4.20 208 204 A 18 ALA HB% A 18 ALA HA 1.0 1.8 3.59 209 205 A 18 ALA HA A 19 VAL H 1.0 1.8 3.16 210 206 A 19 VAL HA A 20 HIS HBy 1.0 1.8 5.68 211 207 A 19 VAL HA A 19 VAL HB 1.0 1.8 4.69 212 208 A 19 VAL H A 19 VAL HGy% 1.0 1.8 4.60 213 209 A 19 VAL HA A 19 VAL HB 1.0 1.8 4.50 214 210 A 19 VAL H A 20 HIS H 1.0 1.8 4.43 215 211 A 19 VAL HB A 20 HIS H 1.0 1.8 4.41 216 212 A 19 VAL HA A 19 VAL HGy% 1.0 1.8 4.19 217 213 A 19 VAL HGx% A 19 VAL HA 1.0 1.8 4.19 218 214 A 19 VAL HA A 19 VAL HGy% 1.0 1.8 4.13 219 215 A 19 VAL HA A 20 HIS H 1.0 1.8 4.10 220 216 A 19 VAL HA A 19 VAL H 1.0 1.8 4.06 221 217 A 19 VAL HB A 19 VAL H 1.0 1.8 3.97 222 218 A 19 VAL HB A 19 VAL H 1.0 1.8 3.74 223 219 A 19 VAL HB A 19 VAL HGy% 1.0 1.8 3.66 224 220 A 19 VAL HB A 19 VAL HGy% 1.0 1.8 3.60 225 221 A 19 VAL HB A 19 VAL HGy% 1.0 1.8 3.54 226 221 A 19 VAL HGx% A 19 VAL HB 1.0 1.8 3.54 227 222 A 19 VAL HA A 19 VAL HGy% 1.0 1.8 3.50 228 222 A 19 VAL HGx% A 19 VAL HA 1.0 1.8 3.50 229 223 A 19 VAL HGx% A 19 VAL HB 1.0 1.8 3.40 230 224 A 20 HIS HBy A 20 HIS H 1.0 1.8 5.48 231 225 A 20 HIS HBy A 21 CYS H 1.0 1.8 5.07 232 226 A 20 HIS H A 20 HIS HBx 1.0 1.8 5.04 233 227 A 21 CYS H A 20 HIS HA 1.0 1.8 4.54 234 228 A 20 HIS HBx A 20 HIS HA 1.0 1.8 4.18 235 229 A 20 HIS HBy A 20 HIS HA 1.0 1.8 4.14 236 230 A 20 HIS HBy A 20 HIS HA 1.0 1.8 4.03 237 231 A 21 CYS H A 26 PRO HBx 1.0 1.8 6.12 238 232 A 21 CYS HBx A 29 CYS H 1.0 1.8 5.94 239 233 A 21 CYS HBx A 26 PRO HGx 1.0 1.8 5.58 240 234 A 21 CYS H A 21 CYS HBy 1.0 1.8 5.07 241 235 A 21 CYS HBx A 26 PRO HA 1.0 1.8 4.78 242 236 A 21 CYS HBy A 26 PRO HA 1.0 1.8 4.43 243 237 A 21 CYS HBy A 22 ASP H 1.0 1.8 4.06 244 238 A 21 CYS HBx A 22 ASP H 1.0 1.8 3.89 245 239 A 22 ASP H A 21 CYS HA 1.0 1.8 3.47 246 240 A 21 CYS HBy A 21 CYS HA 1.0 1.8 3.00 247 241 A 21 CYS HBx A 21 CYS HA 1.0 1.8 2.92 248 242 A 22 ASP HBy A 28 THR H 1.0 1.8 6.02 249 243 A 22 ASP H A 27 ASN H 1.0 1.8 6.00 250 244 A 22 ASP H A 28 THR H 1.0 1.8 5.60 251 245 A 22 ASP HBx A 29 CYS HBy 1.0 1.8 5.29 252 246 A 22 ASP H A 24 ALA H 1.0 1.8 5.25 253 247 A 22 ASP HBy A 29 CYS HBy 1.0 1.8 5.11 254 248 A 22 ASP H A 25 HIS HBx 1.0 1.8 5.10 255 249 A 22 ASP HA A 25 HIS HBy 1.0 1.8 5.04 256 250 A 22 ASP H A 29 CYS HA 1.0 1.8 5.00 257 251 A 26 PRO HA A 22 ASP H 1.0 1.8 4.98 258 252 A 22 ASP HBx A 23 LYS H 1.0 1.8 4.96 259 253 A 22 ASP H A 29 CYS HBy 1.0 1.8 4.88 260 254 A 22 ASP H A 25 HIS H 1.0 1.8 4.85 261 255 A 22 ASP HA A 23 LYS HBx 1.0 1.8 4.73 262 256 A 22 ASP HA A 23 LYS HDx 1.0 1.8 4.60 263 257 A 22 ASP HA A 25 HIS H 1.0 1.8 4.51 264 258 A 22 ASP HBx A 24 ALA H 1.0 1.8 4.49 265 259 A 24 ALA H A 22 ASP HA 1.0 1.8 4.42 266 260 A 22 ASP HBy A 24 ALA H 1.0 1.8 4.38 267 261 A 22 ASP HBy A 25 HIS H 1.0 1.8 4.34 268 262 A 22 ASP H A 22 ASP HBx 1.0 1.8 4.32 269 263 A 22 ASP HBx A 22 ASP HA 1.0 1.8 3.94 270 264 A 22 ASP HA A 23 LYS H 1.0 1.8 3.62 271 265 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.48 272 266 A 22 ASP H A 22 ASP HA 1.0 1.8 3.47 273 267 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.31 274 268 A 22 ASP HBy A 22 ASP HBx 1.0 1.8 3.22 275 269 A 22 ASP HBy A 22 ASP HA 1.0 1.8 2.97 276 270 A 27 ASN H A 23 LYS HA 1.0 1.8 6.57 277 271 A 23 LYS HBx A 24 ALA HA 1.0 1.8 5.83 278 272 A 24 ALA H A 23 LYS HGy 1.0 1.8 5.66 279 273 A 24 ALA H A 23 LYS HGx 1.0 1.8 5.58 280 274 A 24 ALA H A 23 LYS HDx 1.0 1.8 5.45 281 275 A 25 HIS H A 23 LYS HBx 1.0 1.8 5.37 282 276 A 23 LYS HA A 23 LYS HEx 1.0 1.8 5.33 283 277 A 23 LYS H A 23 LYS HGx 1.0 1.8 5.22 284 277 A 23 LYS H A 23 LYS HGy 1.0 1.8 5.22 285 278 A 23 LYS HA A 23 LYS HGx 1.0 1.8 5.20 286 279 A 23 LYS HA A 23 LYS HGx 1.0 1.8 5.16 287 280 A 23 LYS HA A 23 LYS HGy 1.0 1.8 5.05 288 281 A 23 LYS HDx A 23 LYS HA 1.0 1.8 4.91 289 282 A 23 LYS H A 25 HIS H 1.0 1.8 4.85 290 283 A 26 PRO HA A 23 LYS HA 1.0 1.8 4.82 291 284 A 23 LYS H A 23 LYS HBx 1.0 1.8 4.73 292 285 A 23 LYS H A 23 LYS HA 1.0 1.8 4.67 293 286 A 23 LYS HA A 24 ALA HA 1.0 1.8 4.64 294 287 A 23 LYS H A 23 LYS HA 1.0 1.8 4.63 295 288 A 24 ALA H A 23 LYS HA 1.0 1.8 4.55 296 289 A 23 LYS HA A 23 LYS HGx 1.0 1.8 4.52 297 289 A 23 LYS HA A 23 LYS HGy 1.0 1.8 4.52 298 290 A 25 HIS H A 23 LYS HA 1.0 1.8 4.46 299 291 A 23 LYS H A 23 LYS HBx 1.0 1.8 4.25 300 292 A 24 ALA H A 23 LYS H 1.0 1.8 4.24 301 293 A 23 LYS HBx A 23 LYS HA 1.0 1.8 4.16 302 294 A 23 LYS HBx A 23 LYS HA 1.0 1.8 4.08 303 295 A 23 LYS HDx A 23 LYS HGx 1.0 1.8 4.01 304 295 A 23 LYS HDx A 23 LYS HGy 1.0 1.8 4.01 305 296 A 24 ALA H A 23 LYS HBx 1.0 1.8 3.74 306 297 A 23 LYS HDx A 23 LYS HEx 1.0 1.8 3.71 307 298 A 23 LYS HBx A 23 LYS HGx 1.0 1.8 3.22 308 299 A 23 LYS HBx A 23 LYS HGy 1.0 1.8 3.22 309 300 A 24 ALA H A 26 PRO HBy 1.0 1.8 6.73 310 301 A 27 ASN H A 24 ALA H 1.0 1.8 6.70 311 302 A 24 ALA H A 26 PRO HDy 1.0 1.8 4.66 312 303 A 25 HIS H A 24 ALA HB% 1.0 1.8 4.54 313 304 A 24 ALA HA A 26 PRO HDy 1.0 1.8 4.47 314 305 A 24 ALA HA A 26 PRO HDx 1.0 1.8 4.17 315 306 A 25 HIS H A 24 ALA HA 1.0 1.8 4.12 316 307 A 24 ALA H A 25 HIS H 1.0 1.8 3.85 317 308 A 24 ALA H A 24 ALA HB% 1.0 1.8 3.83 318 309 A 24 ALA H A 24 ALA HA 1.0 1.8 3.66 319 310 A 24 ALA H A 24 ALA HA 1.0 1.8 3.65 320 311 A 24 ALA H A 24 ALA HB% 1.0 1.8 3.56 321 312 A 24 ALA HA A 24 ALA HB% 1.0 1.8 2.95 322 313 A 25 HIS HBy A 28 THR HG2% 1.0 1.8 7.06 323 314 A 26 PRO HBy A 25 HIS HA 1.0 1.8 5.94 324 315 A 28 THR H A 25 HIS H 1.0 1.8 5.65 325 316 A 26 PRO HBx A 25 HIS HA 1.0 1.8 5.47 326 317 A 27 ASN H A 25 HIS HA 1.0 1.8 5.46 327 318 A 25 HIS HBx A 28 THR HG2% 1.0 1.8 5.43 328 319 A 25 HIS HBx A 25 HIS HA 1.0 1.8 5.42 329 320 A 25 HIS HBy A 25 HIS H 1.0 1.8 5.29 330 321 A 25 HIS HBy A 26 PRO HDy 1.0 1.8 5.27 331 322 A 26 PRO HA A 25 HIS H 1.0 1.8 5.27 332 323 A 28 THR H A 25 HIS HA 1.0 1.8 5.25 333 324 A 25 HIS HBx A 26 PRO HDy 1.0 1.8 5.06 334 325 A 28 THR H A 25 HIS HBy 1.0 1.8 5.05 335 326 A 25 HIS H A 26 PRO HDx 1.0 1.8 4.99 336 327 A 25 HIS H A 25 HIS HA 1.0 1.8 4.74 337 328 A 25 HIS HBx A 25 HIS H 1.0 1.8 4.73 338 329 A 25 HIS HBy A 25 HIS HA 1.0 1.8 4.63 339 330 A 26 PRO HGx A 25 HIS HA 1.0 1.8 4.58 340 331 A 25 HIS HBx A 25 HIS H 1.0 1.8 4.46 341 332 A 25 HIS HBx A 25 HIS HA 1.0 1.8 4.45 342 333 A 25 HIS H A 26 PRO HDy 1.0 1.8 4.11 343 334 A 26 PRO HDx A 25 HIS HA 1.0 1.8 3.88 344 335 A 26 PRO HDy A 25 HIS HA 1.0 1.8 2.81 345 336 A 26 PRO HBx A 29 CYS H 1.0 1.8 5.82 346 337 A 26 PRO HBx A 27 ASN HA 1.0 1.8 5.63 347 338 A 26 PRO HA A 27 ASN H 1.0 1.8 5.47 348 339 A 26 PRO HA A 26 PRO HDy 1.0 1.8 5.40 349 340 A 26 PRO HBy A 26 PRO HDx 1.0 1.8 5.04 350 341 A 26 PRO HA A 29 CYS HBx 1.0 1.8 5.00 351 342 A 26 PRO HA A 29 CYS HBy 1.0 1.8 4.97 352 343 A 26 PRO HA A 26 PRO HDx 1.0 1.8 4.93 353 344 A 26 PRO HBx A 26 PRO HDx 1.0 1.8 4.91 354 345 A 26 PRO HGx A 26 PRO HA 1.0 1.8 4.79 355 346 A 26 PRO HA A 29 CYS HBy 1.0 1.8 4.60 356 346 A 26 PRO HA A 29 CYS HBx 1.0 1.8 4.60 357 347 A 26 PRO HA A 26 PRO HDy 1.0 1.8 4.55 358 348 A 26 PRO HGx A 27 ASN HA 1.0 1.8 4.28 359 349 A 26 PRO HBx A 26 PRO HA 1.0 1.8 4.24 360 350 A 26 PRO HA A 26 PRO HBy 1.0 1.8 4.06 361 351 A 26 PRO HBy A 26 PRO HDy 1.0 1.8 4.05 362 352 A 26 PRO HA A 28 THR H 1.0 1.8 4.02 363 353 A 26 PRO HBx A 26 PRO HBy 1.0 1.8 3.95 364 354 A 26 PRO HDy A 26 PRO HDx 1.0 1.8 3.95 365 355 A 26 PRO HBx A 26 PRO HA 1.0 1.8 3.86 366 356 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 3.80 367 357 A 26 PRO HBx A 26 PRO HDy 1.0 1.8 3.77 368 358 A 26 PRO HBx A 26 PRO HBy 1.0 1.8 3.67 369 359 A 26 PRO HA A 26 PRO HBy 1.0 1.8 3.46 370 360 A 26 PRO HGx A 26 PRO HBy 1.0 1.8 2.30 371 361 A 28 THR HA A 27 ASN HBx 1.0 1.8 5.87 372 362 A 27 ASN H A 27 ASN HBy 1.0 1.8 5.54 373 363 A 27 ASN H A 27 ASN HBy 1.0 1.8 5.53 374 363 A 27 ASN H A 27 ASN HBx 1.0 1.8 5.53 375 364 A 28 THR HA A 27 ASN HBy 1.0 1.8 5.45 376 365 A 27 ASN H A 27 ASN HBx 1.0 1.8 5.44 377 366 A 27 ASN H A 27 ASN HBy 1.0 1.8 5.42 378 367 A 27 ASN H A 27 ASN HA 1.0 1.8 5.30 379 368 A 28 THR HA A 27 ASN HBy 1.0 1.8 5.29 380 368 A 28 THR HA A 27 ASN HBx 1.0 1.8 5.29 381 369 A 27 ASN H A 27 ASN HA 1.0 1.8 5.20 382 370 A 28 THR H A 27 ASN HBy 1.0 1.8 5.09 383 370 A 28 THR H A 27 ASN HBx 1.0 1.8 5.09 384 371 A 28 THR H A 27 ASN HBy 1.0 1.8 5.08 385 372 A 27 ASN HA A 28 THR HA 1.0 1.8 5.05 386 373 A 28 THR H A 27 ASN H 1.0 1.8 4.34 387 374 A 27 ASN HA A 27 ASN HBy 1.0 1.8 3.92 388 375 A 27 ASN HA A 27 ASN HBy 1.0 1.8 3.36 389 375 A 27 ASN HA A 27 ASN HBx 1.0 1.8 3.36 390 376 A 27 ASN HA A 27 ASN HBx 1.0 1.8 2.96 391 377 A 29 CYS HA A 28 THR HG2% 1.0 1.8 6.82 392 378 A 29 CYS H A 28 THR HG2% 1.0 1.8 5.50 393 379 A 29 CYS H A 28 THR HB 1.0 1.8 5.24 394 380 A 28 THR HG2% A 28 THR HA 1.0 1.8 5.08 395 381 A 28 THR H A 28 THR HG2% 1.0 1.8 4.65 396 382 A 28 THR H A 28 THR HG2% 1.0 1.8 4.65 397 383 A 29 CYS H A 28 THR HA 1.0 1.8 4.54 398 384 A 28 THR H A 29 CYS HA 1.0 1.8 4.52 399 385 A 28 THR H A 28 THR HA 1.0 1.8 4.32 400 386 A 29 CYS H A 28 THR H 1.0 1.8 4.24 401 387 A 28 THR H A 28 THR HB 1.0 1.8 4.05 402 388 A 28 THR HG2% A 28 THR HA 1.0 1.8 3.82 403 389 A 28 THR HG2% A 28 THR HB 1.0 1.8 3.04 404 390 A 30 LYS HGx A 29 CYS HBy 1.0 1.8 7.11 405 391 A 29 CYS HA A 30 LYS HDx 1.0 1.8 5.87 406 392 A 29 CYS HA A 30 LYS HGx 1.0 1.8 5.74 407 393 A 29 CYS HA A 30 LYS HGy 1.0 1.8 5.63 408 394 A 29 CYS HA A 30 LYS HBy 1.0 1.8 5.61 409 395 A 30 LYS H A 29 CYS HBy 1.0 1.8 5.35 410 395 A 29 CYS HBx A 30 LYS H 1.0 1.8 5.35 411 396 A 29 CYS H A 30 LYS H 1.0 1.8 4.81 412 397 A 29 CYS H A 29 CYS HA 1.0 1.8 4.60 413 398 A 29 CYS H A 29 CYS HA 1.0 1.8 4.34 414 399 A 29 CYS HA A 30 LYS H 1.0 1.8 4.31 415 400 A 29 CYS H A 29 CYS HBy 1.0 1.8 4.30 416 401 A 29 CYS H A 29 CYS HBx 1.0 1.8 4.24 417 402 A 29 CYS HBx A 30 LYS H 1.0 1.8 4.12 418 403 A 29 CYS H A 29 CYS HBy 1.0 1.8 4.10 419 403 A 29 CYS H A 29 CYS HBx 1.0 1.8 4.10 420 404 A 29 CYS HA A 29 CYS HBy 1.0 1.8 3.88 421 405 A 29 CYS HA A 29 CYS HBx 1.0 1.8 2.94 422 406 A 30 LYS HGx A 30 LYS HEx 1.0 1.8 6.63 423 407 A 30 LYS HBy A 31 LYS HA 1.0 1.8 5.86 424 408 A 30 LYS HGx A 31 LYS H 1.0 1.8 5.76 425 409 A 30 LYS H A 31 LYS HA 1.0 1.8 5.59 426 410 A 30 LYS H A 31 LYS HGy 1.0 1.8 5.56 427 411 A 30 LYS HA A 31 LYS HGx 1.0 1.8 5.49 428 412 A 30 LYS HGy A 30 LYS H 1.0 1.8 5.41 429 413 A 30 LYS HEx A 30 LYS HA 1.0 1.8 5.25 430 414 A 30 LYS HBy A 30 LYS H 1.0 1.8 5.12 431 415 A 30 LYS HGy A 31 LYS H 1.0 1.8 4.91 432 416 A 30 LYS H A 30 LYS HA 1.0 1.8 4.80 433 417 A 30 LYS HGy A 30 LYS H 1.0 1.8 4.76 434 418 A 30 LYS H A 30 LYS HBx 1.0 1.8 4.74 435 419 A 30 LYS HEx A 30 LYS HA 1.0 1.8 4.73 436 420 A 30 LYS HEx A 30 LYS HBx 1.0 1.8 4.66 437 421 A 30 LYS HGx A 30 LYS HA 1.0 1.8 4.58 438 422 A 30 LYS H A 31 LYS H 1.0 1.8 4.54 439 423 A 30 LYS H A 30 LYS HA 1.0 1.8 4.53 440 424 A 30 LYS H A 30 LYS HBx 1.0 1.8 4.04 441 425 A 30 LYS HDx A 30 LYS HGy 1.0 1.8 4.01 442 426 A 30 LYS HGy A 30 LYS HA 1.0 1.8 4.00 443 427 A 30 LYS HBy A 30 LYS HA 1.0 1.8 3.97 444 428 A 30 LYS HA A 30 LYS HBx 1.0 1.8 3.85 445 429 A 31 LYS HGy A 30 LYS HA 1.0 1.8 3.79 446 430 A 30 LYS HGy A 30 LYS HA 1.0 1.8 3.77 447 431 A 30 LYS HDx A 30 LYS HEx 1.0 1.8 3.71 448 432 A 30 LYS HDx A 30 LYS HA 1.0 1.8 3.53 449 433 A 31 LYS H A 30 LYS HA 1.0 1.8 3.50 450 434 A 30 LYS HGy A 30 LYS HBy 1.0 1.8 3.48 451 435 A 30 LYS HGx A 30 LYS HBx 1.0 1.8 3.47 452 436 A 30 LYS HA A 30 LYS HBx 1.0 1.8 3.34 453 437 A 30 LYS HGy A 30 LYS HBx 1.0 1.8 3.00 454 438 A 31 LYS HGx A 31 LYS HEx 1.0 1.8 6.63 455 439 A 31 LYS HBy A 32 LYS HEx 1.0 1.8 6.05 456 440 A 31 LYS H A 32 LYS HGx 1.0 1.8 6.01 457 441 A 31 LYS HA A 32 LYS HGx 1.0 1.8 5.76 458 442 A 31 LYS H A 31 LYS HGx 1.0 1.8 5.38 459 443 A 31 LYS HA A 31 LYS HEx 1.0 1.8 5.19 460 444 A 31 LYS HEx A 31 LYS HBy 1.0 1.8 4.94 461 445 A 31 LYS HA A 31 LYS HEx 1.0 1.8 4.77 462 446 A 31 LYS HGy A 32 LYS H 1.0 1.8 4.77 463 447 A 31 LYS HEx A 31 LYS HBx 1.0 1.8 4.55 464 448 A 31 LYS H A 32 LYS HGy 1.0 1.8 4.46 465 449 A 31 LYS H A 31 LYS HGy 1.0 1.8 4.32 466 450 A 31 LYS HA A 32 LYS HEx 1.0 1.8 4.30 467 451 A 31 LYS HGy A 31 LYS HDx 1.0 1.8 4.01 468 452 A 31 LYS HA A 31 LYS HGy 1.0 1.8 4.00 469 453 A 31 LYS HA A 31 LYS HBy 1.0 1.8 3.97 470 454 A 31 LYS HA A 32 LYS HGy 1.0 1.8 3.93 471 455 A 31 LYS HA A 31 LYS HBx 1.0 1.8 3.85 472 456 A 31 LYS HA A 31 LYS HGx 1.0 1.8 3.81 473 457 A 31 LYS HA A 31 LYS HGy 1.0 1.8 3.77 474 458 A 31 LYS HBy A 32 LYS H 1.0 1.8 3.74 475 459 A 31 LYS HEx A 31 LYS HDx 1.0 1.8 3.71 476 460 A 31 LYS H A 31 LYS HBy 1.0 1.8 3.68 477 461 A 32 LYS H A 31 LYS HBx 1.0 1.8 3.60 478 462 A 31 LYS HA A 32 LYS H 1.0 1.8 3.48 479 463 A 31 LYS HA A 31 LYS HDx 1.0 1.8 3.47 480 464 A 31 LYS HGx A 31 LYS HBx 1.0 1.8 3.47 481 465 A 31 LYS HA A 31 LYS HBy 1.0 1.8 3.46 482 466 A 31 LYS HA A 31 LYS HBx 1.0 1.8 3.34 483 467 A 31 LYS HGy A 31 LYS HBx 1.0 1.8 2.98 484 468 A 31 LYS HGy A 31 LYS HBy 1.0 1.8 2.92 485 469 A 32 LYS HEx A 32 LYS HGx 1.0 1.8 6.63 486 470 A 32 LYS HBx A 33 GLN HGx 1.0 1.8 5.58 487 471 A 32 LYS HEx A 32 LYS HA 1.0 1.8 5.23 488 472 A 32 LYS HGy A 33 GLN H 1.0 1.8 5.07 489 473 A 33 GLN HGx A 32 LYS HA 1.0 1.8 5.04 490 474 A 32 LYS HEx A 32 LYS HBy 1.0 1.8 4.94 491 475 A 32 LYS H A 32 LYS HGy 1.0 1.8 4.94 492 476 A 32 LYS H A 33 GLN HBx 1.0 1.8 4.92 493 477 A 32 LYS HGx A 32 LYS HA 1.0 1.8 4.58 494 478 A 32 LYS HEx A 32 LYS HA 1.0 1.8 4.55 495 479 A 32 LYS HBx A 33 GLN HA 1.0 1.8 4.54 496 480 A 32 LYS HEx A 32 LYS HBx 1.0 1.8 4.54 497 481 A 32 LYS HBy A 33 GLN HA 1.0 1.8 4.46 498 482 A 32 LYS H A 32 LYS HGy 1.0 1.8 4.35 499 483 A 32 LYS HGy A 32 LYS HA 1.0 1.8 4.33 500 484 A 32 LYS H A 32 LYS HBy 1.0 1.8 4.25 501 485 A 33 GLN H A 32 LYS HBy 1.0 1.8 4.12 502 486 A 32 LYS HGy A 32 LYS HDx 1.0 1.8 4.01 503 487 A 32 LYS H A 32 LYS HBx 1.0 1.8 4.00 504 488 A 32 LYS HA A 32 LYS HBy 1.0 1.8 3.97 505 489 A 32 LYS H A 32 LYS HBy 1.0 1.8 3.87 506 490 A 32 LYS HBx A 32 LYS HA 1.0 1.8 3.85 507 491 A 32 LYS HGy A 32 LYS HA 1.0 1.8 3.77 508 492 A 32 LYS HEx A 32 LYS HDx 1.0 1.8 3.71 509 493 A 32 LYS HA A 32 LYS HDx 1.0 1.8 3.56 510 494 A 32 LYS HGx A 32 LYS HBx 1.0 1.8 3.47 511 495 A 32 LYS HA A 32 LYS HBy 1.0 1.8 3.46 512 496 A 32 LYS HA A 33 GLN H 1.0 1.8 3.42 513 497 A 32 LYS HBx A 32 LYS HA 1.0 1.8 3.34 514 498 A 32 LYS H A 32 LYS HA 1.0 1.8 3.18 515 499 A 32 LYS HGy A 32 LYS HBx 1.0 1.8 3.00 516 500 A 32 LYS HGy A 32 LYS HBy 1.0 1.8 2.69 517 501 A 33 GLN HBx A 34 ALA HA 1.0 1.8 6.01 518 502 A 33 GLN HGx A 33 GLN H 1.0 1.8 5.17 519 503 A 33 GLN HGx A 33 GLN HA 1.0 1.8 5.00 520 504 A 33 GLN H A 33 GLN HBy 1.0 1.8 4.90 521 505 A 33 GLN HGx A 34 ALA HA 1.0 1.8 4.82 522 506 A 33 GLN H A 33 GLN HBx 1.0 1.8 4.43 523 507 A 33 GLN HGx A 33 GLN HA 1.0 1.8 4.24 524 508 A 33 GLN HGx A 34 ALA H 1.0 1.8 4.14 525 509 A 33 GLN HBx A 33 GLN HA 1.0 1.8 4.10 526 510 A 33 GLN H A 33 GLN HBy 1.0 1.8 4.00 527 511 A 33 GLN HA A 33 GLN HBy 1.0 1.8 3.94 528 512 A 33 GLN HBx A 34 ALA H 1.0 1.8 3.82 529 513 A 33 GLN HGx A 33 GLN H 1.0 1.8 3.74 530 514 A 33 GLN HA A 34 ALA H 1.0 1.8 3.66 531 515 A 33 GLN HBy A 34 ALA H 1.0 1.8 3.57 532 516 A 33 GLN H A 33 GLN HBx 1.0 1.8 3.52 533 517 A 33 GLN HA A 33 GLN HBy 1.0 1.8 3.35 534 518 A 33 GLN H A 33 GLN HA 1.0 1.8 2.90 535 519 A 34 ALA HA A 35 ASN HBx 1.0 1.8 5.81 536 520 A 34 ALA HA A 35 ASN HBy 1.0 1.8 5.71 537 521 A 34 ALA HB% A 35 ASN H 1.0 1.8 5.34 538 522 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.27 539 523 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.16 540 524 A 34 ALA HA A 35 ASN H 1.0 1.8 3.88 541 525 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.70 542 526 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.50 543 527 A 35 ASN HBy A 36 PRO HGx 1.0 1.8 6.22 544 528 A 35 ASN HBx A 36 PRO HGx 1.0 1.8 5.96 545 529 A 35 ASN H A 36 PRO HDx 1.0 1.8 5.89 546 530 A 35 ASN H A 36 PRO HDy 1.0 1.8 5.80 547 531 A 35 ASN HA A 36 PRO HBy 1.0 1.8 5.62 548 532 A 35 ASN HBy A 35 ASN H 1.0 1.8 5.36 549 533 A 35 ASN HA A 36 PRO HBx 1.0 1.8 5.31 550 534 A 35 ASN H A 35 ASN HA 1.0 1.8 5.20 551 535 A 35 ASN HBx A 35 ASN H 1.0 1.8 5.16 552 536 A 35 ASN HBx A 35 ASN H 1.0 1.8 5.15 553 537 A 35 ASN H A 35 ASN HA 1.0 1.8 5.06 554 538 A 35 ASN HBy A 36 PRO HDx 1.0 1.8 4.99 555 539 A 35 ASN HBy A 36 PRO HDy 1.0 1.8 4.91 556 540 A 35 ASN HA A 36 PRO HGy 1.0 1.8 4.74 557 541 A 36 PRO HGx A 35 ASN HA 1.0 1.8 4.53 558 542 A 35 ASN HBx A 35 ASN HA 1.0 1.8 4.40 559 543 A 35 ASN HBy A 35 ASN HA 1.0 1.8 4.32 560 544 A 35 ASN HBy A 35 ASN H 1.0 1.8 4.30 561 545 A 35 ASN HBx A 35 ASN HA 1.0 1.8 3.92 562 546 A 35 ASN HBx A 36 PRO HDx 1.0 1.8 3.85 563 547 A 36 PRO HDx A 35 ASN HA 1.0 1.8 3.16 564 548 A 36 PRO HDy A 35 ASN HA 1.0 1.8 3.09 565 549 A 36 PRO HBx A 37 TYR HA 1.0 1.8 5.94 566 550 A 36 PRO HA A 37 TYR HBx 1.0 1.8 5.71 567 551 A 36 PRO HGy A 37 TYR HBx 1.0 1.8 5.71 568 552 A 36 PRO HGx A 37 TYR HBy 1.0 1.8 5.70 569 553 A 36 PRO HGx A 36 PRO HDx 1.0 1.8 5.69 570 554 A 36 PRO HDx A 37 TYR HBx 1.0 1.8 5.68 571 555 A 36 PRO HDy A 36 PRO HGy 1.0 1.8 5.60 572 556 A 36 PRO HDx A 37 TYR HBy 1.0 1.8 5.56 573 557 A 36 PRO HDy A 36 PRO HBy 1.0 1.8 5.34 574 558 A 36 PRO HBy A 36 PRO HA 1.0 1.8 5.32 575 559 A 36 PRO HBy A 37 TYR H 1.0 1.8 5.17 576 560 A 36 PRO HGx A 36 PRO HDy 1.0 1.8 5.08 577 561 A 36 PRO HGy A 36 PRO HA 1.0 1.8 4.67 578 562 A 36 PRO HBx A 36 PRO HA 1.0 1.8 4.63 579 563 A 36 PRO HBy A 36 PRO HBx 1.0 1.8 4.60 580 564 A 36 PRO HDy A 37 TYR H 1.0 1.8 4.46 581 565 A 36 PRO HGy A 36 PRO HA 1.0 1.8 4.43 582 566 A 36 PRO HBy A 36 PRO HBx 1.0 1.8 4.24 583 567 A 36 PRO HBx A 37 TYR H 1.0 1.8 4.23 584 568 A 36 PRO HBy A 36 PRO HA 1.0 1.8 4.21 585 569 A 36 PRO HDx A 37 TYR H 1.0 1.8 4.05 586 570 A 36 PRO HDy A 36 PRO HA 1.0 1.8 4.03 587 571 A 36 PRO HBx A 36 PRO HA 1.0 1.8 4.02 588 572 A 36 PRO HGx A 36 PRO HA 1.0 1.8 4.01 589 573 A 36 PRO HDx A 36 PRO HA 1.0 1.8 3.97 590 574 A 36 PRO HGx A 37 TYR H 1.0 1.8 3.95 591 575 A 36 PRO HDy A 36 PRO HBx 1.0 1.8 3.92 592 576 A 36 PRO HDx A 36 PRO HBx 1.0 1.8 3.66 593 577 A 36 PRO HA A 37 TYR H 1.0 1.8 3.53 594 578 A 36 PRO HGx A 36 PRO HGy 1.0 1.8 3.23 595 579 A 36 PRO HGx A 36 PRO HBy 1.0 1.8 3.16 596 580 A 36 PRO HBx A 36 PRO HGy 1.0 1.8 2.90 597 581 A 37 TYR HBx A 38 ARG H 1.0 1.8 5.89 598 582 A 37 TYR HA A 38 ARG HBx 1.0 1.8 5.62 599 583 A 37 TYR HA A 38 ARG HA 1.0 1.8 5.31 600 584 A 37 TYR HBy A 38 ARG H 1.0 1.8 4.96 601 585 A 37 TYR HA A 37 TYR HBy 1.0 1.8 4.22 602 586 A 37 TYR HBy A 37 TYR H 1.0 1.8 4.02 603 587 A 37 TYR HA A 37 TYR H 1.0 1.8 4.00 604 588 A 37 TYR HA A 37 TYR HBy 1.0 1.8 3.86 605 589 A 37 TYR HBx A 37 TYR H 1.0 1.8 3.85 606 590 A 37 TYR HA A 38 ARG H 1.0 1.8 3.82 607 591 A 37 TYR HBx A 37 TYR H 1.0 1.8 3.47 608 592 A 37 TYR HBy A 37 TYR H 1.0 1.8 3.38 609 593 A 38 ARG HDx A 38 ARG HGx 1.0 1.8 6.50 610 594 A 38 ARG H A 39 ARG H 1.0 1.8 5.94 611 595 A 38 ARG HA A 38 ARG HDx 1.0 1.8 5.47 612 596 A 38 ARG HGx A 39 ARG H 1.0 1.8 5.46 613 597 A 38 ARG H A 38 ARG HBx 1.0 1.8 5.41 614 598 A 38 ARG HGx A 39 ARG HA 1.0 1.8 5.38 615 599 A 38 ARG H A 39 ARG HBy 1.0 1.8 5.35 616 600 A 38 ARG HA A 39 ARG HBx 1.0 1.8 5.03 617 601 A 38 ARG HA A 38 ARG HGx 1.0 1.8 5.03 618 602 A 38 ARG H A 38 ARG HA 1.0 1.8 4.96 619 603 A 38 ARG H A 38 ARG HBx 1.0 1.8 4.91 620 604 A 38 ARG H A 38 ARG HA 1.0 1.8 4.74 621 605 A 38 ARG H A 38 ARG HGx 1.0 1.8 4.66 622 606 A 38 ARG HBx A 39 ARG HA 1.0 1.8 4.48 623 607 A 38 ARG H A 38 ARG HBy 1.0 1.8 4.37 624 608 A 38 ARG HA A 39 ARG HBy 1.0 1.8 4.24 625 609 A 39 ARG H A 38 ARG HBy 1.0 1.8 3.96 626 610 A 38 ARG HBx A 38 ARG HDx 1.0 1.8 3.44 627 611 A 38 ARG HDx A 38 ARG HBy 1.0 1.8 3.40 628 612 A 38 ARG HBx A 38 ARG HA 1.0 1.8 3.31 629 613 A 38 ARG HA A 38 ARG HBy 1.0 1.8 3.27 630 614 A 39 ARG HGy A 39 ARG HDx 1.0 1.8 5.58 631 615 A 39 ARG H A 39 ARG HGx 1.0 1.8 5.46 632 616 A 39 ARG H A 39 ARG HBy 1.0 1.8 5.14 633 617 A 39 ARG HBx A 40 GLY HAx 1.0 1.8 5.06 634 618 A 39 ARG HBy A 40 GLY H 1.0 1.8 5.03 635 619 A 39 ARG HA A 39 ARG HDx 1.0 1.8 4.78 636 620 A 39 ARG HA A 40 GLY HAx 1.0 1.8 4.69 637 621 A 39 ARG H A 40 GLY HAx 1.0 1.8 4.53 638 622 A 39 ARG HBy A 39 ARG HDx 1.0 1.8 4.52 639 623 A 39 ARG H A 40 GLY H 1.0 1.8 4.48 640 624 A 39 ARG HA A 40 GLY H 1.0 1.8 4.18 641 625 A 39 ARG H A 39 ARG HBx 1.0 1.8 4.10 642 626 A 39 ARG HBx A 39 ARG HDx 1.0 1.8 3.79 643 627 A 39 ARG HA A 39 ARG HGy 1.0 1.8 3.63 644 628 A 39 ARG H A 39 ARG HBx 1.0 1.8 3.48 645 629 A 39 ARG HA A 39 ARG HGx 1.0 1.8 3.48 646 630 A 39 ARG HA A 39 ARG HBy 1.0 1.8 3.47 647 631 A 39 ARG HA A 39 ARG HBx 1.0 1.8 3.00 648 632 A 40 GLY HAx A 41 CYS HBy 1.0 1.8 5.74 649 632 A 40 GLY HAx A 41 CYS HBx 1.0 1.8 5.74 650 633 A 40 GLY H A 41 CYS H 1.0 1.8 5.38 651 634 A 40 GLY HAx A 41 CYS HA 1.0 1.8 4.91 652 635 A 40 GLY HAx A 41 CYS HBx 1.0 1.8 4.70 653 636 A 40 GLY HAx A 40 GLY H 1.0 1.8 4.09 654 637 A 40 GLY HAx A 41 CYS H 1.0 1.8 3.79 655 638 A 40 GLY HAx A 40 GLY H 1.0 1.8 3.59 656 639 A 41 CYS H A 43 VAL HGy% 1.0 1.8 7.84 657 640 A 42 GLY HAy A 41 CYS HBy 1.0 1.8 6.76 658 641 A 42 GLY HAx A 41 CYS HBy 1.0 1.8 6.61 659 641 A 41 CYS HBx A 42 GLY HAx 1.0 1.8 6.61 660 642 A 41 CYS HBx A 42 GLY HAx 1.0 1.8 6.13 661 643 A 42 GLY HAy A 41 CYS HBy 1.0 1.8 6.12 662 643 A 41 CYS HBx A 42 GLY HAy 1.0 1.8 6.12 663 644 A 47 CYS HBx A 41 CYS HBy 1.0 1.8 6.08 664 645 A 41 CYS HA A 43 VAL HGx% 1.0 1.8 6.08 665 646 A 41 CYS HBx A 43 VAL HGy% 1.0 1.8 6.00 666 647 A 41 CYS HA A 43 VAL HGy% 1.0 1.8 5.80 667 648 A 43 VAL H A 41 CYS HBy 1.0 1.8 5.79 668 648 A 41 CYS HBx A 43 VAL H 1.0 1.8 5.79 669 649 A 41 CYS H A 42 GLY H 1.0 1.8 5.66 670 650 A 41 CYS HBx A 42 GLY H 1.0 1.8 5.39 671 651 A 42 GLY H A 41 CYS HBy 1.0 1.8 5.27 672 652 A 42 GLY H A 41 CYS HBy 1.0 1.8 5.26 673 652 A 41 CYS HBx A 42 GLY H 1.0 1.8 5.26 674 653 A 41 CYS HBx A 47 CYS HBx 1.0 1.8 5.24 675 654 A 47 CYS HBy A 41 CYS HBy 1.0 1.8 5.22 676 655 A 43 VAL H A 41 CYS HBy 1.0 1.8 5.13 677 656 A 41 CYS HA A 42 GLY HAy 1.0 1.8 5.12 678 657 A 41 CYS HBx A 41 CYS H 1.0 1.8 5.02 679 658 A 41 CYS H A 41 CYS HBy 1.0 1.8 4.96 680 659 A 41 CYS H A 41 CYS HBy 1.0 1.8 4.94 681 659 A 41 CYS HBx A 41 CYS H 1.0 1.8 4.94 682 660 A 41 CYS HA A 42 GLY HAx 1.0 1.8 4.91 683 661 A 41 CYS HBx A 47 CYS HBy 1.0 1.8 4.86 684 662 A 41 CYS HA A 42 GLY H 1.0 1.8 4.32 685 663 A 41 CYS H A 41 CYS HBy 1.0 1.8 4.14 686 664 A 41 CYS HA A 41 CYS HBy 1.0 1.8 3.78 687 665 A 41 CYS HBx A 41 CYS HA 1.0 1.8 3.52 688 666 A 41 CYS HA A 41 CYS HBy 1.0 1.8 3.13 689 666 A 41 CYS HBx A 41 CYS HA 1.0 1.8 3.13 690 667 A 42 GLY H A 43 VAL HB 1.0 1.8 5.92 691 668 A 42 GLY H A 44 LEU H 1.0 1.8 5.69 692 669 A 42 GLY HAx A 42 GLY H 1.0 1.8 4.48 693 670 A 42 GLY HAy A 42 GLY H 1.0 1.8 4.47 694 671 A 43 VAL H A 42 GLY H 1.0 1.8 4.29 695 672 A 42 GLY HAx A 44 LEU HG 1.0 1.8 4.26 696 673 A 42 GLY HAx A 42 GLY H 1.0 1.8 4.05 697 674 A 42 GLY HAy A 42 GLY H 1.0 1.8 3.82 698 675 A 42 GLY HAy A 44 LEU H 1.0 1.8 3.61 699 676 A 42 GLY HAx A 43 VAL H 1.0 1.8 3.41 700 677 A 42 GLY HAy A 43 VAL H 1.0 1.8 3.24 701 678 A 46 GLY H A 43 VAL HGx% 1.0 1.8 6.92 702 679 A 47 CYS HBy A 43 VAL HB 1.0 1.8 6.81 703 680 A 45 GLU H A 43 VAL HGy% 1.0 1.8 6.27 704 681 A 47 CYS HBx A 43 VAL HGy% 1.0 1.8 5.97 705 682 A 45 GLU H A 43 VAL HGy% 1.0 1.8 5.93 706 682 A 45 GLU H A 43 VAL HGx% 1.0 1.8 5.93 707 683 A 43 VAL HGx% A 45 GLU HGx 1.0 1.8 5.92 708 684 A 43 VAL H A 44 LEU HG 1.0 1.8 5.49 709 685 A 45 GLU HBx A 43 VAL HGy% 1.0 1.8 5.39 710 686 A 43 VAL H A 44 LEU HA 1.0 1.8 5.38 711 687 A 43 VAL H A 43 VAL HGx% 1.0 1.8 5.05 712 688 A 44 LEU H A 43 VAL HGx% 1.0 1.8 5.02 713 689 A 47 CYS HBy A 43 VAL HGy% 1.0 1.8 4.94 714 690 A 44 LEU H A 43 VAL HGy% 1.0 1.8 4.91 715 691 A 43 VAL HB A 43 VAL HA 1.0 1.8 4.66 716 692 A 45 GLU H A 43 VAL HA 1.0 1.8 4.44 717 693 A 44 LEU H A 43 VAL HGy% 1.0 1.8 4.42 718 693 A 44 LEU H A 43 VAL HGx% 1.0 1.8 4.42 719 694 A 43 VAL H A 43 VAL HA 1.0 1.8 4.34 720 695 A 43 VAL H A 43 VAL HB 1.0 1.8 4.27 721 696 A 43 VAL HB A 43 VAL HA 1.0 1.8 4.25 722 697 A 43 VAL H A 43 VAL HGy% 1.0 1.8 4.07 723 697 A 43 VAL H A 43 VAL HGx% 1.0 1.8 4.07 724 698 A 43 VAL HGx% A 43 VAL HA 1.0 1.8 3.96 725 699 A 44 LEU H A 43 VAL HA 1.0 1.8 3.90 726 700 A 43 VAL HB A 44 LEU H 1.0 1.8 3.80 727 701 A 43 VAL HB A 43 VAL HGy% 1.0 1.8 3.79 728 702 A 43 VAL HA A 43 VAL HGy% 1.0 1.8 3.79 729 703 A 45 GLU HBy A 43 VAL HGy% 1.0 1.8 3.76 730 704 A 43 VAL H A 43 VAL HA 1.0 1.8 3.74 731 705 A 43 VAL HB A 43 VAL HGy% 1.0 1.8 3.67 732 705 A 43 VAL HB A 43 VAL HGx% 1.0 1.8 3.67 733 706 A 43 VAL H A 43 VAL HB 1.0 1.8 3.56 734 707 A 43 VAL HA A 43 VAL HGy% 1.0 1.8 3.56 735 707 A 43 VAL HGx% A 43 VAL HA 1.0 1.8 3.56 736 708 A 43 VAL H A 44 LEU H 1.0 1.8 3.56 737 709 A 43 VAL H A 43 VAL HGy% 1.0 1.8 3.23 738 710 A 43 VAL HB A 45 GLU H 1.0 1.8 3.14 739 711 A 43 VAL HB A 43 VAL HGx% 1.0 1.8 3.03 740 712 A 44 LEU HBy A 45 GLU HA 1.0 1.8 5.56 741 713 A 45 GLU HA A 44 LEU HBx 1.0 1.8 5.47 742 714 A 44 LEU HA A 44 LEU HBx 1.0 1.8 5.47 743 715 A 44 LEU H A 44 LEU HDy% 1.0 1.8 5.42 744 716 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 5.24 745 717 A 44 LEU H A 44 LEU HBx 1.0 1.8 5.08 746 718 A 44 LEU HA A 44 LEU HBy 1.0 1.8 5.00 747 719 A 44 LEU HG A 44 LEU HDx% 1.0 1.8 4.99 748 720 A 44 LEU HG A 45 GLU H 1.0 1.8 4.71 749 721 A 44 LEU HBy A 44 LEU HDy% 1.0 1.8 4.57 750 722 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 4.51 751 723 A 44 LEU HBx A 44 LEU HDx% 1.0 1.8 4.50 752 724 A 44 LEU HBx A 44 LEU HDy% 1.0 1.8 4.50 753 725 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 4.46 754 726 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 4.24 755 727 A 44 LEU HA A 44 LEU HBy 1.0 1.8 4.12 756 728 A 44 LEU H A 44 LEU HA 1.0 1.8 4.08 757 729 A 44 LEU HG A 44 LEU HDy% 1.0 1.8 4.03 758 730 A 45 GLU H A 44 LEU HBy 1.0 1.8 4.00 759 731 A 44 LEU H A 44 LEU HA 1.0 1.8 3.93 760 732 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.89 761 733 A 44 LEU H A 44 LEU HG 1.0 1.8 3.65 762 734 A 44 LEU HG A 44 LEU HA 1.0 1.8 3.59 763 735 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.58 764 736 A 44 LEU H A 44 LEU HG 1.0 1.8 3.37 765 737 A 44 LEU HBy A 44 LEU HDx% 1.0 1.8 3.27 766 738 A 44 LEU H A 45 GLU H 1.0 1.8 3.17 767 739 A 47 CYS HBy A 45 GLU HBy 1.0 1.8 7.06 768 740 A 47 CYS HBy A 45 GLU HBx 1.0 1.8 6.77 769 741 A 45 GLU HBx A 46 GLY HAy 1.0 1.8 6.03 770 742 A 45 GLU HBx A 46 GLY HAx 1.0 1.8 5.61 771 743 A 47 CYS HBy A 45 GLU H 1.0 1.8 5.54 772 744 A 46 GLY H A 45 GLU HGx 1.0 1.8 5.30 773 745 A 46 GLY H A 45 GLU HGy 1.0 1.8 5.05 774 746 A 45 GLU H A 45 GLU HGy 1.0 1.8 5.05 775 747 A 45 GLU HBy A 46 GLY HAy 1.0 1.8 5.01 776 748 A 45 GLU HA A 46 GLY HAx 1.0 1.8 4.84 777 749 A 45 GLU HBy A 46 GLY HAx 1.0 1.8 4.84 778 750 A 45 GLU HA A 45 GLU HGy 1.0 1.8 4.72 779 751 A 45 GLU H A 45 GLU HGx 1.0 1.8 4.67 780 752 A 46 GLY H A 45 GLU HBx 1.0 1.8 4.36 781 753 A 46 GLY H A 45 GLU HBy 1.0 1.8 4.16 782 754 A 45 GLU H A 45 GLU HBx 1.0 1.8 3.69 783 755 A 45 GLU H A 45 GLU HBy 1.0 1.8 3.69 784 756 A 45 GLU H A 45 GLU HGx 1.0 1.8 3.66 785 757 A 45 GLU H A 45 GLU HA 1.0 1.8 3.44 786 758 A 46 GLY H A 45 GLU HA 1.0 1.8 3.44 787 759 A 45 GLU HGx A 45 GLU HA 1.0 1.8 3.28 788 760 A 45 GLU HBx A 45 GLU HA 1.0 1.8 3.20 789 761 A 45 GLU HBy A 45 GLU HA 1.0 1.8 3.20 790 762 A 45 GLU H A 45 GLU HBy 1.0 1.8 3.14 791 763 A 45 GLU HBy A 45 GLU HGy 1.0 1.8 3.10 792 764 A 45 GLU HBx A 45 GLU HGy 1.0 1.8 3.10 793 765 A 45 GLU H A 45 GLU HA 1.0 1.8 3.06 794 766 A 47 CYS HBy A 46 GLY HAx 1.0 1.8 5.51 795 767 A 46 GLY HAy A 47 CYS HA 1.0 1.8 5.36 796 768 A 47 CYS HBx A 46 GLY HAy 1.0 1.8 5.04 797 769 A 47 CYS HBx A 46 GLY H 1.0 1.8 5.01 798 770 A 46 GLY HAx A 47 CYS HA 1.0 1.8 4.96 799 771 A 46 GLY H A 47 CYS HA 1.0 1.8 4.83 800 772 A 47 CYS HBy A 46 GLY HAy 1.0 1.8 4.83 801 773 A 46 GLY H A 46 GLY HAy 1.0 1.8 4.16 802 774 A 46 GLY HAy A 47 CYS H 1.0 1.8 4.00 803 775 A 46 GLY HAx A 47 CYS H 1.0 1.8 3.73 804 776 A 46 GLY H A 46 GLY HAy 1.0 1.8 3.59 805 777 A 46 GLY H A 46 GLY HAx 1.0 1.8 3.37 806 778 A 46 GLY H A 46 GLY HAx 1.0 1.8 3.33 807 779 A 46 GLY HAy A 46 GLY HAx 1.0 1.8 2.29 808 780 A 47 CYS HA A 48 HIS HBx 1.0 1.8 5.79 809 781 A 47 CYS HBy A 47 CYS HA 1.0 1.8 5.54 810 782 A 47 CYS H A 48 HIS HA 1.0 1.8 5.51 811 783 A 47 CYS H A 48 HIS H 1.0 1.8 5.28 812 784 A 47 CYS HA A 47 CYS H 1.0 1.8 4.63 813 785 A 47 CYS HBy A 47 CYS H 1.0 1.8 4.55 814 786 A 47 CYS HA A 47 CYS H 1.0 1.8 4.40 815 787 A 47 CYS HBx A 47 CYS H 1.0 1.8 4.39 816 788 A 47 CYS HBx A 47 CYS HA 1.0 1.8 4.09 817 789 A 47 CYS HBx A 47 CYS H 1.0 1.8 3.90 818 790 A 47 CYS HBy A 47 CYS HA 1.0 1.8 3.85 819 791 A 47 CYS HBy A 47 CYS H 1.0 1.8 3.65 820 792 A 47 CYS HBx A 47 CYS HBy 1.0 1.8 3.10 821 793 A 48 HIS HBx A 49 ARG HA 1.0 1.8 5.72 822 794 A 48 HIS HA A 48 HIS H 1.0 1.8 5.72 823 795 A 48 HIS HBy A 49 ARG H 1.0 1.8 5.37 824 796 A 48 HIS HA A 49 ARG HBx 1.0 1.8 5.28 825 797 A 48 HIS HBx A 48 HIS HA 1.0 1.8 4.61 826 798 A 48 HIS HBx A 48 HIS HA 1.0 1.8 3.98 827 799 A 48 HIS HA A 48 HIS HBy 1.0 1.8 3.43 828 800 A 49 ARG H A 50 GLU H 1.0 1.8 5.96 829 801 A 49 ARG HBx A 50 GLU HA 1.0 1.8 5.94 830 802 A 49 ARG HGx A 50 GLU HBy 1.0 1.8 5.91 831 803 A 49 ARG HBx A 50 GLU H 1.0 1.8 5.51 832 804 A 49 ARG H A 49 ARG HGx 1.0 1.8 5.46 833 805 A 49 ARG HA A 50 GLU HGx 1.0 1.8 5.38 834 806 A 49 ARG H A 49 ARG HBy 1.0 1.8 5.35 835 807 A 50 GLU H A 49 ARG HBy 1.0 1.8 5.28 836 808 A 49 ARG H A 49 ARG HBx 1.0 1.8 5.10 837 809 A 50 GLU H A 49 ARG HGx 1.0 1.8 4.91 838 810 A 49 ARG HA A 49 ARG HGx 1.0 1.8 4.81 839 811 A 49 ARG HA A 50 GLU H 1.0 1.8 4.39 840 812 A 49 ARG H A 49 ARG HBy 1.0 1.8 4.18 841 813 A 49 ARG HA A 49 ARG HBx 1.0 1.8 3.30 842 814 A 49 ARG HA A 49 ARG H 1.0 1.8 2.95 843 815 A 50 GLU H A 50 GLU HA 1.0 1.8 5.93 844 816 A 50 GLU HBy A 51 THR HB 1.0 1.8 5.36 845 817 A 50 GLU H A 50 GLU HGx 1.0 1.8 5.36 846 818 A 50 GLU HA A 50 GLU HGx 1.0 1.8 5.09 847 819 A 50 GLU H A 50 GLU HBy 1.0 1.8 5.06 848 820 A 50 GLU H A 50 GLU HGx 1.0 1.8 5.05 849 821 A 50 GLU HBy A 51 THR H 1.0 1.8 4.97 850 822 A 50 GLU H A 51 THR HA 1.0 1.8 4.96 851 823 A 50 GLU HGx A 51 THR H 1.0 1.8 4.84 852 824 A 50 GLU HA A 50 GLU HGx 1.0 1.8 4.75 853 825 A 50 GLU H A 50 GLU HBx 1.0 1.8 4.48 854 826 A 50 GLU H A 51 THR H 1.0 1.8 4.45 855 827 A 50 GLU H A 50 GLU HBx 1.0 1.8 4.10 856 828 A 50 GLU H A 50 GLU HBy 1.0 1.8 4.00 857 829 A 50 GLU HA A 51 THR H 1.0 1.8 3.85 858 830 A 50 GLU HA A 50 GLU HBy 1.0 1.8 3.83 859 831 A 50 GLU HGx A 50 GLU HBx 1.0 1.8 3.37 860 832 A 50 GLU HBy A 50 GLU HGx 1.0 1.8 3.10 861 833 A 50 GLU H A 50 GLU HA 1.0 1.8 3.07 862 834 A 51 THR HA A 52 GLY HAy 1.0 1.8 5.21 863 835 A 51 THR HB A 51 THR H 1.0 1.8 5.21 864 836 A 51 THR HB A 52 GLY H 1.0 1.8 5.17 865 837 A 51 THR H A 52 GLY HAx 1.0 1.8 5.17 866 838 A 51 THR H A 52 GLY HAy 1.0 1.8 5.16 867 839 A 51 THR HA A 52 GLY HAx 1.0 1.8 4.82 868 840 A 51 THR H A 51 THR HG2% 1.0 1.8 4.79 869 841 A 52 GLY H A 51 THR HG2% 1.0 1.8 4.51 870 842 A 51 THR HB A 51 THR HG2% 1.0 1.8 4.06 871 843 A 51 THR HA A 51 THR HG2% 1.0 1.8 3.97 872 844 A 51 THR H A 51 THR HA 1.0 1.8 3.89 873 845 A 51 THR HA A 52 GLY H 1.0 1.8 3.89 874 846 A 51 THR H A 51 THR HA 1.0 1.8 3.85 875 847 A 52 GLY HAx A 53 PRO HBx 1.0 1.8 6.03 876 848 A 52 GLY HAy A 53 PRO HBx 1.0 1.8 5.90 877 849 A 52 GLY HAy A 53 PRO HGx 1.0 1.8 5.78 878 850 A 52 GLY HAx A 53 PRO HA 1.0 1.8 5.76 879 851 A 52 GLY HAx A 53 PRO HGx 1.0 1.8 5.67 880 852 A 52 GLY H A 53 PRO HDx 1.0 1.8 5.58 881 853 A 52 GLY HAy A 53 PRO HA 1.0 1.8 5.08 882 854 A 52 GLY H A 53 PRO HA 1.0 1.8 4.81 883 855 A 52 GLY H A 52 GLY HAx 1.0 1.8 4.75 884 856 A 52 GLY H A 52 GLY HAx 1.0 1.8 4.37 885 857 A 52 GLY HAy A 52 GLY H 1.0 1.8 4.09 886 858 A 52 GLY HAy A 53 PRO HDx 1.0 1.8 3.90 887 859 A 52 GLY HAx A 53 PRO HDx 1.0 1.8 3.85 888 860 A 53 PRO HBx A 54 LYS H 1.0 1.8 5.65 889 861 A 54 LYS H A 53 PRO HBy 1.0 1.8 5.50 890 862 A 53 PRO HGx A 53 PRO HDx 1.0 1.8 5.47 891 863 A 53 PRO HGx A 55 PRO HDy 1.0 1.8 5.36 892 864 A 53 PRO HBy A 55 PRO HDy 1.0 1.8 5.22 893 865 A 53 PRO HDx A 53 PRO HBy 1.0 1.8 4.85 894 866 A 53 PRO HA A 53 PRO HDx 1.0 1.8 4.72 895 867 A 53 PRO HDx A 53 PRO HBy 1.0 1.8 4.54 896 868 A 53 PRO HGx A 53 PRO HDx 1.0 1.8 4.43 897 869 A 53 PRO HA A 53 PRO HBy 1.0 1.8 4.02 898 870 A 53 PRO HA A 54 LYS H 1.0 1.8 3.95 899 871 A 53 PRO HBx A 53 PRO HDx 1.0 1.8 3.83 900 872 A 53 PRO HA A 53 PRO HBy 1.0 1.8 3.55 901 873 A 53 PRO HGx A 53 PRO HBy 1.0 1.8 3.48 902 874 A 53 PRO HBx A 53 PRO HBy 1.0 1.8 3.42 903 875 A 53 PRO HBx A 53 PRO HA 1.0 1.8 3.38 904 876 A 54 LYS HBy A 56 THR HG2% 1.0 1.8 7.05 905 877 A 54 LYS HEx A 56 THR H 1.0 1.8 5.86 906 878 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.64 907 879 A 54 LYS HGx A 54 LYS HA 1.0 1.8 5.35 908 880 A 54 LYS H A 55 PRO HDx 1.0 1.8 5.30 909 881 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.28 910 882 A 56 THR H A 54 LYS HBx 1.0 1.8 5.19 911 883 A 54 LYS HA A 54 LYS HBx 1.0 1.8 4.94 912 884 A 54 LYS H A 54 LYS HA 1.0 1.8 4.81 913 885 A 54 LYS HA A 56 THR HB 1.0 1.8 4.67 914 886 A 54 LYS H A 55 PRO HA 1.0 1.8 4.53 915 887 A 54 LYS HBy A 54 LYS HA 1.0 1.8 4.43 916 888 A 56 THR H A 54 LYS HA 1.0 1.8 4.34 917 889 A 54 LYS HEx A 54 LYS HA 1.0 1.8 4.19 918 890 A 54 LYS HGx A 54 LYS HDx 1.0 1.8 4.01 919 891 A 54 LYS HEx A 54 LYS HDx 1.0 1.8 3.71 920 892 A 54 LYS HEx A 54 LYS HBx 1.0 1.8 3.56 921 893 A 54 LYS HA A 55 PRO HDx 1.0 1.8 3.45 922 894 A 55 PRO HDy A 54 LYS HA 1.0 1.8 3.40 923 895 A 54 LYS HBy A 54 LYS HGx 1.0 1.8 2.98 924 896 A 55 PRO HA A 56 THR HA 1.0 1.8 5.70 925 897 A 56 THR HA A 55 PRO HGx 1.0 1.8 5.61 926 898 A 56 THR H A 55 PRO HDx 1.0 1.8 5.48 927 899 A 55 PRO HDy A 55 PRO HBy 1.0 1.8 5.36 928 900 A 56 THR H A 55 PRO HGx 1.0 1.8 5.27 929 901 A 55 PRO HDy A 55 PRO HBy 1.0 1.8 5.24 930 902 A 55 PRO HDy A 55 PRO HBx 1.0 1.8 5.20 931 903 A 55 PRO HA A 55 PRO HBy 1.0 1.8 4.97 932 904 A 56 THR H A 55 PRO HBx 1.0 1.8 4.73 933 905 A 55 PRO HA A 55 PRO HBx 1.0 1.8 4.57 934 906 A 55 PRO HA A 55 PRO HGx 1.0 1.8 4.57 935 907 A 55 PRO HDy A 55 PRO HBx 1.0 1.8 4.21 936 908 A 56 THR H A 55 PRO HA 1.0 1.8 3.97 937 909 A 55 PRO HBy A 55 PRO HBx 1.0 1.8 3.95 938 910 A 55 PRO HDx A 55 PRO HBy 1.0 1.8 3.83 939 911 A 55 PRO HDx A 55 PRO HGx 1.0 1.8 3.80 940 912 A 55 PRO HBy A 55 PRO HBx 1.0 1.8 3.67 941 913 A 55 PRO HDx A 55 PRO HBx 1.0 1.8 3.53 942 914 A 55 PRO HGx A 55 PRO HBy 1.0 1.8 2.57 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 19 VAL C A 20 HIS N A 20 HIS CA A 20 HIS C 1.0 -131.95 -43.75 PHI 2 2 A 20 HIS N A 20 HIS CA A 20 HIS C A 21 CYS N 1.0 93.09 172.01 PSI 3 3 A 20 HIS C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -94.71 -48.79 PHI 4 4 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ASP N 1.0 115.60 165.62 PSI 5 5 A 21 CYS C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -139.57 -37.45 PHI 6 6 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 LYS N 1.0 93.80 147.10 PSI 7 7 A 22 ASP C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -84.17 -44.17 PHI 8 8 A 23 LYS C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -98.95 -58.95 PHI 9 9 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 HIS N 1.0 -45.61 5.83 PSI 10 10 A 24 ALA C A 25 HIS N A 25 HIS CA A 25 HIS C 1.0 -163.09 -93.05 PHI 11 11 A 25 HIS N A 25 HIS CA A 25 HIS C A 26 PRO N 1.0 38.84 117.40 PSI 12 12 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 ASN N 1.0 -50.72 -10.72 PSI 13 13 A 26 PRO C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -88.43 -48.43 PHI 14 14 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 THR N 1.0 -37.52 2.48 PSI 15 15 A 27 ASN C A 28 THR N A 28 THR CA A 28 THR C 1.0 -130.65 -46.93 PHI 16 16 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 LYS N 1.0 102.86 186.92 PSI 17 17 A 40 GLY C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -90.27 -50.27 PHI 18 18 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 GLY N 1.0 114.66 164.52 PSI 19 19 A 44 LEU C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -102.26 -61.48 PHI 20 20 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLY N 1.0 -33.73 8.49 PSI stop_ save_